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-e773f488/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/SNORD17-e773f488/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-e773f488/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/SNORD17-e773f488/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-e773f488/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/SNORD17-e773f488/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-e773f488/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/SNORD17-e773f488/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-e773f488/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/SNORD17-e773f488/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-e773f488/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/SNORD17-e773f488/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-e773f488/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/SNORD17-e773f488/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-e773f488/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/SNORD17-e773f488/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-e773f488/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/SNORD17-e773f488/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-e773f488/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/SNORD17-e773f488/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: 9
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -1706.369162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1706.369162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.049275 (E_RNA)
where:
Base-Base interactions energy: -1144.685
where: short stacking energy: -483.636
Base-Backbone interact. energy: -1.479
local terms energy: -593.885568
where:
bonds (distance) C4'-P energy: -126.277
bonds (distance) P-C4' energy: -141.512
flat angles C4'-P-C4' energy: -120.520
flat angles P-C4'-P energy: -78.195
tors. eta vs tors. theta energy: -127.382
Dist. restrs. and SS energy: 33.680 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -1484.426609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1484.426609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1543.209074 (E_RNA)
where:
Base-Base interactions energy: -971.604
where: short stacking energy: -426.332
Base-Backbone interact. energy: -3.165
local terms energy: -568.439647
where:
bonds (distance) C4'-P energy: -129.971
bonds (distance) P-C4' energy: -141.398
flat angles C4'-P-C4' energy: -123.657
flat angles P-C4'-P energy: -66.819
tors. eta vs tors. theta energy: -106.595
Dist. restrs. and SS energy: 58.782 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 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: 9
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -1843.640388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.640388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.104871 (E_RNA)
where:
Base-Base interactions energy: -1213.056
where: short stacking energy: -527.212
Base-Backbone interact. energy: -0.455
local terms energy: -656.593187
where:
bonds (distance) C4'-P energy: -131.343
bonds (distance) P-C4' energy: -139.785
flat angles C4'-P-C4' energy: -144.013
flat angles P-C4'-P energy: -87.969
tors. eta vs tors. theta energy: -153.483
Dist. restrs. and SS energy: 26.464 (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: 5
Temperature: 1.200000
Total energy: -1567.249099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1567.249099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1603.666877 (E_RNA)
where:
Base-Base interactions energy: -1063.241
where: short stacking energy: -460.683
Base-Backbone interact. energy: -1.686
local terms energy: -538.739776
where:
bonds (distance) C4'-P energy: -132.613
bonds (distance) P-C4' energy: -127.378
flat angles C4'-P-C4' energy: -120.166
flat angles P-C4'-P energy: -48.092
tors. eta vs tors. theta energy: -110.490
Dist. restrs. and SS energy: 36.418 (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: 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: 7
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -1478.926839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1478.926839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1520.628562 (E_RNA)
where:
Base-Base interactions energy: -1038.731
where: short stacking energy: -440.393
Base-Backbone interact. energy: 0.360
local terms energy: -482.257660
where:
bonds (distance) C4'-P energy: -132.813
bonds (distance) P-C4' energy: -95.084
flat angles C4'-P-C4' energy: -107.871
flat angles P-C4'-P energy: -39.503
tors. eta vs tors. theta energy: -106.987
Dist. restrs. and SS energy: 41.702 (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: 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: 9
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -1902.789442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.789442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.703542 (E_RNA)
where:
Base-Base interactions energy: -1311.978
where: short stacking energy: -566.732
Base-Backbone interact. energy: -3.206
local terms energy: -622.519514
where:
bonds (distance) C4'-P energy: -119.035
bonds (distance) P-C4' energy: -130.835
flat angles C4'-P-C4' energy: -131.026
flat angles P-C4'-P energy: -80.820
tors. eta vs tors. theta energy: -160.804
Dist. restrs. and SS energy: 34.914 (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: 6
Temperature: 1.150000
Total energy: -1755.403707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1755.403707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.448618 (E_RNA)
where:
Base-Base interactions energy: -1214.468
where: short stacking energy: -526.911
Base-Backbone interact. energy: 1.302
local terms energy: -574.282136
where:
bonds (distance) C4'-P energy: -115.068
bonds (distance) P-C4' energy: -115.590
flat angles C4'-P-C4' energy: -127.463
flat angles P-C4'-P energy: -68.434
tors. eta vs tors. theta energy: -147.726
Dist. restrs. and SS energy: 32.045 (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: 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: 6
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -1578.905592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1578.905592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1627.592153 (E_RNA)
where:
Base-Base interactions energy: -1097.253
where: short stacking energy: -493.620
Base-Backbone interact. energy: -3.830
local terms energy: -526.509724
where:
bonds (distance) C4'-P energy: -112.736
bonds (distance) P-C4' energy: -110.177
flat angles C4'-P-C4' energy: -131.779
flat angles P-C4'-P energy: -56.026
tors. eta vs tors. theta energy: -115.790
Dist. restrs. and SS energy: 48.687 (S_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: 7
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -1487.591060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1487.591060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1532.115901 (E_RNA)
where:
Base-Base interactions energy: -1031.025
where: short stacking energy: -417.211
Base-Backbone interact. energy: -0.711
local terms energy: -500.379731
where:
bonds (distance) C4'-P energy: -110.925
bonds (distance) P-C4' energy: -119.180
flat angles C4'-P-C4' energy: -107.047
flat angles P-C4'-P energy: -55.616
tors. eta vs tors. theta energy: -107.612
Dist. restrs. and SS energy: 44.525 (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: 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: 9
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -1976.286144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1976.286144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2004.664896 (E_RNA)
where:
Base-Base interactions energy: -1329.634
where: short stacking energy: -555.304
Base-Backbone interact. energy: -0.908
local terms energy: -674.122052
where:
bonds (distance) C4'-P energy: -133.095
bonds (distance) P-C4' energy: -149.351
flat angles C4'-P-C4' energy: -147.445
flat angles P-C4'-P energy: -90.394
tors. eta vs tors. theta energy: -153.837
Dist. restrs. and SS energy: 28.379 (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: 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: 4
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -1723.636615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1723.636615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1758.323513 (E_RNA)
where:
Base-Base interactions energy: -1199.497
where: short stacking energy: -501.155
Base-Backbone interact. energy: -3.377
local terms energy: -555.449703
where:
bonds (distance) C4'-P energy: -119.428
bonds (distance) P-C4' energy: -112.435
flat angles C4'-P-C4' energy: -128.272
flat angles P-C4'-P energy: -68.769
tors. eta vs tors. theta energy: -126.544
Dist. restrs. and SS energy: 34.687 (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: 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: 6
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -1542.956788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1542.956788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1579.747727 (E_RNA)
where:
Base-Base interactions energy: -1059.315
where: short stacking energy: -427.497
Base-Backbone interact. energy: -1.348
local terms energy: -519.084909
where:
bonds (distance) C4'-P energy: -117.168
bonds (distance) P-C4' energy: -127.069
flat angles C4'-P-C4' energy: -107.140
flat angles P-C4'-P energy: -62.154
tors. eta vs tors. theta energy: -105.554
Dist. restrs. and SS energy: 36.791 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -1531.423290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.423290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1571.465075 (E_RNA)
where:
Base-Base interactions energy: -1066.140
where: short stacking energy: -445.559
Base-Backbone interact. energy: 0.680
local terms energy: -506.005117
where:
bonds (distance) C4'-P energy: -104.638
bonds (distance) P-C4' energy: -109.608
flat angles C4'-P-C4' energy: -125.766
flat angles P-C4'-P energy: -63.400
tors. eta vs tors. theta energy: -102.593
Dist. restrs. and SS energy: 40.042 (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: 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: 9
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -1943.683662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1943.683662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1974.912361 (E_RNA)
where:
Base-Base interactions energy: -1347.857
where: short stacking energy: -546.134
Base-Backbone interact. energy: -0.897
local terms energy: -626.158606
where:
bonds (distance) C4'-P energy: -127.577
bonds (distance) P-C4' energy: -127.938
flat angles C4'-P-C4' energy: -138.993
flat angles P-C4'-P energy: -79.197
tors. eta vs tors. theta energy: -152.454
Dist. restrs. and SS energy: 31.229 (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: 8
Temperature: 1.200000
Total energy: -1868.088651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.088651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1888.796295 (E_RNA)
where:
Base-Base interactions energy: -1319.565
where: short stacking energy: -541.842
Base-Backbone interact. energy: -0.837
local terms energy: -568.394024
where:
bonds (distance) C4'-P energy: -118.605
bonds (distance) P-C4' energy: -108.898
flat angles C4'-P-C4' energy: -129.758
flat angles P-C4'-P energy: -67.135
tors. eta vs tors. theta energy: -143.998
Dist. restrs. and SS energy: 20.708 (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: 4
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -1663.348754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1663.348754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1706.338512 (E_RNA)
where:
Base-Base interactions energy: -1158.153
where: short stacking energy: -499.468
Base-Backbone interact. energy: -1.594
local terms energy: -546.591587
where:
bonds (distance) C4'-P energy: -124.957
bonds (distance) P-C4' energy: -120.919
flat angles C4'-P-C4' energy: -111.166
flat angles P-C4'-P energy: -65.896
tors. eta vs tors. theta energy: -123.654
Dist. restrs. and SS energy: 42.990 (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: 7
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -1673.224416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1673.224416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1702.686377 (E_RNA)
where:
Base-Base interactions energy: -1170.195
where: short stacking energy: -480.761
Base-Backbone interact. energy: 1.198
local terms energy: -533.689425
where:
bonds (distance) C4'-P energy: -113.746
bonds (distance) P-C4' energy: -117.781
flat angles C4'-P-C4' energy: -113.058
flat angles P-C4'-P energy: -66.740
tors. eta vs tors. theta energy: -122.365
Dist. restrs. and SS energy: 29.462 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -1526.908134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1526.908134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.410839 (E_RNA)
where:
Base-Base interactions energy: -1067.248
where: short stacking energy: -433.941
Base-Backbone interact. energy: 1.484
local terms energy: -504.646611
where:
bonds (distance) C4'-P energy: -94.458
bonds (distance) P-C4' energy: -125.521
flat angles C4'-P-C4' energy: -124.857
flat angles P-C4'-P energy: -54.677
tors. eta vs tors. theta energy: -105.134
Dist. restrs. and SS energy: 43.503 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 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: 9
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -1909.640693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1909.640693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1938.273494 (E_RNA)
where:
Base-Base interactions energy: -1315.087
where: short stacking energy: -555.332
Base-Backbone interact. energy: 5.682
local terms energy: -628.868545
where:
bonds (distance) C4'-P energy: -140.384
bonds (distance) P-C4' energy: -128.642
flat angles C4'-P-C4' energy: -127.169
flat angles P-C4'-P energy: -86.663
tors. eta vs tors. theta energy: -146.010
Dist. restrs. and SS energy: 28.633 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -1951.876745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1951.876745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1975.122196 (E_RNA)
where:
Base-Base interactions energy: -1349.486
where: short stacking energy: -564.218
Base-Backbone interact. energy: 2.442
local terms energy: -628.078449
where:
bonds (distance) C4'-P energy: -120.074
bonds (distance) P-C4' energy: -115.103
flat angles C4'-P-C4' energy: -154.568
flat angles P-C4'-P energy: -74.415
tors. eta vs tors. theta energy: -163.919
Dist. restrs. and SS energy: 23.245 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -1853.769418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.769418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.286464 (E_RNA)
where:
Base-Base interactions energy: -1298.961
where: short stacking energy: -533.251
Base-Backbone interact. energy: 1.454
local terms energy: -581.778863
where:
bonds (distance) C4'-P energy: -121.405
bonds (distance) P-C4' energy: -122.676
flat angles C4'-P-C4' energy: -117.594
flat angles P-C4'-P energy: -81.298
tors. eta vs tors. theta energy: -138.806
Dist. restrs. and SS energy: 25.517 (S_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: 9
Temperature: 1.300000
Total energy: -1658.098145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.098145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1705.984673 (E_RNA)
where:
Base-Base interactions energy: -1150.648
where: short stacking energy: -484.351
Base-Backbone interact. energy: 4.001
local terms energy: -559.337154
where:
bonds (distance) C4'-P energy: -117.878
bonds (distance) P-C4' energy: -121.061
flat angles C4'-P-C4' energy: -125.053
flat angles P-C4'-P energy: -67.077
tors. eta vs tors. theta energy: -128.268
Dist. restrs. and SS energy: 47.887 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -1509.367285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1509.367285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1546.839719 (E_RNA)
where:
Base-Base interactions energy: -1076.674
where: short stacking energy: -448.085
Base-Backbone interact. energy: 1.340
local terms energy: -471.505239
where:
bonds (distance) C4'-P energy: -98.949
bonds (distance) P-C4' energy: -95.028
flat angles C4'-P-C4' energy: -106.893
flat angles P-C4'-P energy: -58.702
tors. eta vs tors. theta energy: -111.934
Dist. restrs. and SS energy: 37.472 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 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: 9
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -1947.006110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1947.006110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1977.043120 (E_RNA)
where:
Base-Base interactions energy: -1327.372
where: short stacking energy: -533.891
Base-Backbone interact. energy: -1.417
local terms energy: -648.253783
where:
bonds (distance) C4'-P energy: -142.709
bonds (distance) P-C4' energy: -135.605
flat angles C4'-P-C4' energy: -155.957
flat angles P-C4'-P energy: -67.258
tors. eta vs tors. theta energy: -146.725
Dist. restrs. and SS energy: 30.037 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -1995.974928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1995.974928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2016.045128 (E_RNA)
where:
Base-Base interactions energy: -1380.335
where: short stacking energy: -579.726
Base-Backbone interact. energy: -1.213
local terms energy: -634.497345
where:
bonds (distance) C4'-P energy: -115.737
bonds (distance) P-C4' energy: -118.019
flat angles C4'-P-C4' energy: -151.608
flat angles P-C4'-P energy: -88.185
tors. eta vs tors. theta energy: -160.948
Dist. restrs. and SS energy: 20.070 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -1829.688379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.688379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.402744 (E_RNA)
where:
Base-Base interactions energy: -1291.497
where: short stacking energy: -541.297
Base-Backbone interact. energy: -1.619
local terms energy: -570.287262
where:
bonds (distance) C4'-P energy: -116.898
bonds (distance) P-C4' energy: -107.184
flat angles C4'-P-C4' energy: -116.921
flat angles P-C4'-P energy: -74.171
tors. eta vs tors. theta energy: -155.113
Dist. restrs. and SS energy: 33.714 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -1641.294480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1641.294480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1672.666723 (E_RNA)
where:
Base-Base interactions energy: -1112.993
where: short stacking energy: -467.786
Base-Backbone interact. energy: -1.660
local terms energy: -558.013262
where:
bonds (distance) C4'-P energy: -112.746
bonds (distance) P-C4' energy: -130.763
flat angles C4'-P-C4' energy: -126.349
flat angles P-C4'-P energy: -72.759
tors. eta vs tors. theta energy: -115.397
Dist. restrs. and SS energy: 31.372 (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: 6
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -1520.757676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1520.757676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1559.718763 (E_RNA)
where:
Base-Base interactions energy: -1017.955
where: short stacking energy: -423.735
Base-Backbone interact. energy: -1.483
local terms energy: -540.280610
where:
bonds (distance) C4'-P energy: -118.275
bonds (distance) P-C4' energy: -128.526
flat angles C4'-P-C4' energy: -118.277
flat angles P-C4'-P energy: -82.789
tors. eta vs tors. theta energy: -92.414
Dist. restrs. and SS energy: 38.961 (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: 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: 9
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -1968.157801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1968.157801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1994.532017 (E_RNA)
where:
Base-Base interactions energy: -1328.358
where: short stacking energy: -581.241
Base-Backbone interact. energy: -0.321
local terms energy: -665.852984
where:
bonds (distance) C4'-P energy: -129.356
bonds (distance) P-C4' energy: -130.718
flat angles C4'-P-C4' energy: -140.612
flat angles P-C4'-P energy: -93.187
tors. eta vs tors. theta energy: -171.980
Dist. restrs. and SS energy: 26.374 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -2010.002474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2010.002474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2032.849087 (E_RNA)
where:
Base-Base interactions energy: -1385.344
where: short stacking energy: -592.677
Base-Backbone interact. energy: -1.328
local terms energy: -646.176510
where:
bonds (distance) C4'-P energy: -130.560
bonds (distance) P-C4' energy: -128.294
flat angles C4'-P-C4' energy: -133.971
flat angles P-C4'-P energy: -89.794
tors. eta vs tors. theta energy: -163.558
Dist. restrs. and SS energy: 22.847 (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: 7
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -1894.103534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.103534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.079754 (E_RNA)
where:
Base-Base interactions energy: -1313.995
where: short stacking energy: -560.045
Base-Backbone interact. energy: 0.012
local terms energy: -602.096886
where:
bonds (distance) C4'-P energy: -124.419
bonds (distance) P-C4' energy: -126.615
flat angles C4'-P-C4' energy: -117.509
flat angles P-C4'-P energy: -79.763
tors. eta vs tors. theta energy: -153.791
Dist. restrs. and SS energy: 21.976 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -1808.402721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.402721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.847721 (E_RNA)
where:
Base-Base interactions energy: -1260.823
where: short stacking energy: -517.879
Base-Backbone interact. energy: -0.429
local terms energy: -580.595161
where:
bonds (distance) C4'-P energy: -105.319
bonds (distance) P-C4' energy: -130.716
flat angles C4'-P-C4' energy: -133.481
flat angles P-C4'-P energy: -77.402
tors. eta vs tors. theta energy: -133.676
Dist. restrs. and SS energy: 33.445 (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: 6
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -1674.076983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1674.076983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1712.315267 (E_RNA)
where:
Base-Base interactions energy: -1146.788
where: short stacking energy: -454.600
Base-Backbone interact. energy: 1.896
local terms energy: -567.423902
where:
bonds (distance) C4'-P energy: -103.019
bonds (distance) P-C4' energy: -136.122
flat angles C4'-P-C4' energy: -113.202
flat angles P-C4'-P energy: -71.629
tors. eta vs tors. theta energy: -143.452
Dist. restrs. and SS energy: 38.238 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 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: 9
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -2108.537225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2108.537225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2127.751820 (E_RNA)
where:
Base-Base interactions energy: -1462.094
where: short stacking energy: -645.627
Base-Backbone interact. energy: -2.757
local terms energy: -662.901218
where:
bonds (distance) C4'-P energy: -132.920
bonds (distance) P-C4' energy: -129.093
flat angles C4'-P-C4' energy: -143.836
flat angles P-C4'-P energy: -83.537
tors. eta vs tors. theta energy: -173.516
Dist. restrs. and SS energy: 19.215 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 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: 10
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -2040.094385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2040.094385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2063.061626 (E_RNA)
where:
Base-Base interactions energy: -1398.699
where: short stacking energy: -582.091
Base-Backbone interact. energy: -1.647
local terms energy: -662.715637
where:
bonds (distance) C4'-P energy: -130.837
bonds (distance) P-C4' energy: -120.690
flat angles C4'-P-C4' energy: -141.188
flat angles P-C4'-P energy: -82.058
tors. eta vs tors. theta energy: -187.942
Dist. restrs. and SS energy: 22.967 (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: 7
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -1864.354559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.354559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.641183 (E_RNA)
where:
Base-Base interactions energy: -1299.455
where: short stacking energy: -543.852
Base-Backbone interact. energy: -2.264
local terms energy: -588.922089
where:
bonds (distance) C4'-P energy: -131.617
bonds (distance) P-C4' energy: -107.392
flat angles C4'-P-C4' energy: -123.838
flat angles P-C4'-P energy: -84.324
tors. eta vs tors. theta energy: -141.750
Dist. restrs. and SS energy: 26.287 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -1816.141450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.141450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.732382 (E_RNA)
where:
Base-Base interactions energy: -1310.255
where: short stacking energy: -559.154
Base-Backbone interact. energy: 0.634
local terms energy: -535.111313
where:
bonds (distance) C4'-P energy: -118.232
bonds (distance) P-C4' energy: -81.803
flat angles C4'-P-C4' energy: -118.767
flat angles P-C4'-P energy: -72.472
tors. eta vs tors. theta energy: -143.838
Dist. restrs. and SS energy: 28.591 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -1646.654518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1646.654518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1687.613687 (E_RNA)
where:
Base-Base interactions energy: -1147.667
where: short stacking energy: -488.725
Base-Backbone interact. energy: 1.994
local terms energy: -541.939966
where:
bonds (distance) C4'-P energy: -123.741
bonds (distance) P-C4' energy: -103.156
flat angles C4'-P-C4' energy: -119.360
flat angles P-C4'-P energy: -73.468
tors. eta vs tors. theta energy: -122.216
Dist. restrs. and SS energy: 40.959 (S_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: 9
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -2229.357980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2229.357980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2243.275700 (E_RNA)
where:
Base-Base interactions energy: -1543.974
where: short stacking energy: -660.143
Base-Backbone interact. energy: -2.143
local terms energy: -697.158750
where:
bonds (distance) C4'-P energy: -134.205
bonds (distance) P-C4' energy: -128.123
flat angles C4'-P-C4' energy: -152.151
flat angles P-C4'-P energy: -92.274
tors. eta vs tors. theta energy: -190.406
Dist. restrs. and SS energy: 13.918 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 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: 10
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -2113.143988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2113.143988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2131.264629 (E_RNA)
where:
Base-Base interactions energy: -1496.103
where: short stacking energy: -634.189
Base-Backbone interact. energy: 3.523
local terms energy: -638.684407
where:
bonds (distance) C4'-P energy: -121.587
bonds (distance) P-C4' energy: -120.986
flat angles C4'-P-C4' energy: -141.589
flat angles P-C4'-P energy: -82.347
tors. eta vs tors. theta energy: -172.175
Dist. restrs. and SS energy: 18.121 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 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: 7
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -1868.509335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.509335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.493141 (E_RNA)
where:
Base-Base interactions energy: -1292.940
where: short stacking energy: -554.885
Base-Backbone interact. energy: -2.611
local terms energy: -600.942319
where:
bonds (distance) C4'-P energy: -115.590
bonds (distance) P-C4' energy: -133.704
flat angles C4'-P-C4' energy: -135.237
flat angles P-C4'-P energy: -77.204
tors. eta vs tors. theta energy: -139.207
Dist. restrs. and SS energy: 27.984 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -1841.526285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.526285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.819295 (E_RNA)
where:
Base-Base interactions energy: -1304.315
where: short stacking energy: -546.453
Base-Backbone interact. energy: 1.190
local terms energy: -562.694018
where:
bonds (distance) C4'-P energy: -114.069
bonds (distance) P-C4' energy: -113.698
flat angles C4'-P-C4' energy: -116.712
flat angles P-C4'-P energy: -78.264
tors. eta vs tors. theta energy: -139.951
Dist. restrs. and SS energy: 24.293 (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: 13
Temperature: 1.350000
Total energy: -1656.342331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1656.342331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1702.123450 (E_RNA)
where:
Base-Base interactions energy: -1151.543
where: short stacking energy: -486.143
Base-Backbone interact. energy: 3.210
local terms energy: -553.790876
where:
bonds (distance) C4'-P energy: -113.790
bonds (distance) P-C4' energy: -132.343
flat angles C4'-P-C4' energy: -127.589
flat angles P-C4'-P energy: -51.689
tors. eta vs tors. theta energy: -128.380
Dist. restrs. and SS energy: 45.781 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 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: 2
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -2204.097612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2204.097612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2224.443271 (E_RNA)
where:
Base-Base interactions energy: -1514.029
where: short stacking energy: -642.754
Base-Backbone interact. energy: -1.694
local terms energy: -708.720246
where:
bonds (distance) C4'-P energy: -152.943
bonds (distance) P-C4' energy: -129.109
flat angles C4'-P-C4' energy: -148.653
flat angles P-C4'-P energy: -97.339
tors. eta vs tors. theta energy: -180.677
Dist. restrs. and SS energy: 20.346 (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: 9
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -2202.675194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2202.675194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2226.544570 (E_RNA)
where:
Base-Base interactions energy: -1531.245
where: short stacking energy: -654.517
Base-Backbone interact. energy: -4.268
local terms energy: -691.031662
where:
bonds (distance) C4'-P energy: -118.668
bonds (distance) P-C4' energy: -131.971
flat angles C4'-P-C4' energy: -149.982
flat angles P-C4'-P energy: -103.730
tors. eta vs tors. theta energy: -186.680
Dist. restrs. and SS energy: 23.869 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -2181.262434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2181.262434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2202.258668 (E_RNA)
where:
Base-Base interactions energy: -1542.327
where: short stacking energy: -654.562
Base-Backbone interact. energy: 3.332
local terms energy: -663.263486
where:
bonds (distance) C4'-P energy: -116.138
bonds (distance) P-C4' energy: -124.517
flat angles C4'-P-C4' energy: -147.386
flat angles P-C4'-P energy: -101.805
tors. eta vs tors. theta energy: -173.418
Dist. restrs. and SS energy: 20.996 (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: 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: 7
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -1958.316770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1958.316770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1975.931847 (E_RNA)
where:
Base-Base interactions energy: -1334.091
where: short stacking energy: -554.710
Base-Backbone interact. energy: 0.974
local terms energy: -642.815293
where:
bonds (distance) C4'-P energy: -133.264
bonds (distance) P-C4' energy: -131.422
flat angles C4'-P-C4' energy: -137.826
flat angles P-C4'-P energy: -81.875
tors. eta vs tors. theta energy: -158.427
Dist. restrs. and SS energy: 17.615 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 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: 4
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -1856.334023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.334023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1885.707820 (E_RNA)
where:
Base-Base interactions energy: -1281.873
where: short stacking energy: -533.065
Base-Backbone interact. energy: 1.215
local terms energy: -605.049984
where:
bonds (distance) C4'-P energy: -125.521
bonds (distance) P-C4' energy: -114.134
flat angles C4'-P-C4' energy: -134.743
flat angles P-C4'-P energy: -70.063
tors. eta vs tors. theta energy: -160.589
Dist. restrs. and SS energy: 29.374 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -1721.763041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1721.763041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1755.806464 (E_RNA)
where:
Base-Base interactions energy: -1218.629
where: short stacking energy: -500.000
Base-Backbone interact. energy: -3.174
local terms energy: -534.003542
where:
bonds (distance) C4'-P energy: -84.964
bonds (distance) P-C4' energy: -114.038
flat angles C4'-P-C4' energy: -136.047
flat angles P-C4'-P energy: -63.266
tors. eta vs tors. theta energy: -135.688
Dist. restrs. and SS energy: 34.043 (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: 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: 8
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -2380.705695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2380.705695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2389.437649 (E_RNA)
where:
Base-Base interactions energy: -1647.722
where: short stacking energy: -689.913
Base-Backbone interact. energy: -1.946
local terms energy: -739.769682
where:
bonds (distance) C4'-P energy: -133.009
bonds (distance) P-C4' energy: -150.177
flat angles C4'-P-C4' energy: -163.013
flat angles P-C4'-P energy: -93.692
tors. eta vs tors. theta energy: -199.878
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: 3, replica: 2
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -2182.080580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2182.080580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2204.185181 (E_RNA)
where:
Base-Base interactions energy: -1500.748
where: short stacking energy: -640.961
Base-Backbone interact. energy: -1.685
local terms energy: -701.752495
where:
bonds (distance) C4'-P energy: -153.122
bonds (distance) P-C4' energy: -141.027
flat angles C4'-P-C4' energy: -142.881
flat angles P-C4'-P energy: -99.443
tors. eta vs tors. theta energy: -165.280
Dist. restrs. and SS energy: 22.105 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -2216.964153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2216.964153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2237.838651 (E_RNA)
where:
Base-Base interactions energy: -1543.901
where: short stacking energy: -664.283
Base-Backbone interact. energy: -0.953
local terms energy: -692.984305
where:
bonds (distance) C4'-P energy: -148.594
bonds (distance) P-C4' energy: -129.656
flat angles C4'-P-C4' energy: -164.386
flat angles P-C4'-P energy: -76.379
tors. eta vs tors. theta energy: -173.970
Dist. restrs. and SS energy: 20.874 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -2204.812425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2204.812425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2225.085039 (E_RNA)
where:
Base-Base interactions energy: -1518.728
where: short stacking energy: -647.510
Base-Backbone interact. energy: -3.265
local terms energy: -703.091888
where:
bonds (distance) C4'-P energy: -145.157
bonds (distance) P-C4' energy: -133.274
flat angles C4'-P-C4' energy: -163.448
flat angles P-C4'-P energy: -77.895
tors. eta vs tors. theta energy: -183.317
Dist. restrs. and SS energy: 20.273 (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: 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: 7
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -1953.245092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.245092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.846246 (E_RNA)
where:
Base-Base interactions energy: -1362.408
where: short stacking energy: -539.100
Base-Backbone interact. energy: -0.728
local terms energy: -605.710176
where:
bonds (distance) C4'-P energy: -114.156
bonds (distance) P-C4' energy: -114.451
flat angles C4'-P-C4' energy: -144.915
flat angles P-C4'-P energy: -76.135
tors. eta vs tors. theta energy: -156.053
Dist. restrs. and SS energy: 15.601 (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: 4
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -1996.013636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1996.013636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.928026 (E_RNA)
where:
Base-Base interactions energy: -1396.579
where: short stacking energy: -578.236
Base-Backbone interact. energy: 0.527
local terms energy: -619.876351
where:
bonds (distance) C4'-P energy: -128.734
bonds (distance) P-C4' energy: -108.818
flat angles C4'-P-C4' energy: -136.574
flat angles P-C4'-P energy: -93.354
tors. eta vs tors. theta energy: -152.397
Dist. restrs. and SS energy: 19.914 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 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: 6
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -1731.331839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1731.331839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1757.424815 (E_RNA)
where:
Base-Base interactions energy: -1223.784
where: short stacking energy: -492.897
Base-Backbone interact. energy: 2.733
local terms energy: -536.373221
where:
bonds (distance) C4'-P energy: -104.997
bonds (distance) P-C4' energy: -107.296
flat angles C4'-P-C4' energy: -124.388
flat angles P-C4'-P energy: -64.848
tors. eta vs tors. theta energy: -134.845
Dist. restrs. and SS energy: 26.093 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -2392.919646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2392.919646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2404.948121 (E_RNA)
where:
Base-Base interactions energy: -1650.486
where: short stacking energy: -693.943
Base-Backbone interact. energy: -1.738
local terms energy: -752.723678
where:
bonds (distance) C4'-P energy: -150.698
bonds (distance) P-C4' energy: -151.115
flat angles C4'-P-C4' energy: -162.612
flat angles P-C4'-P energy: -108.331
tors. eta vs tors. theta energy: -179.969
Dist. restrs. and SS energy: 12.028 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -2357.536237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2357.536237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2370.826285 (E_RNA)
where:
Base-Base interactions energy: -1607.325
where: short stacking energy: -679.242
Base-Backbone interact. energy: -0.193
local terms energy: -763.307957
where:
bonds (distance) C4'-P energy: -148.381
bonds (distance) P-C4' energy: -156.096
flat angles C4'-P-C4' energy: -174.716
flat angles P-C4'-P energy: -95.769
tors. eta vs tors. theta energy: -188.346
Dist. restrs. and SS energy: 13.290 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -2270.574015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2270.574015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2285.074783 (E_RNA)
where:
Base-Base interactions energy: -1580.795
where: short stacking energy: -672.878
Base-Backbone interact. energy: -2.416
local terms energy: -701.863595
where:
bonds (distance) C4'-P energy: -135.805
bonds (distance) P-C4' energy: -123.986
flat angles C4'-P-C4' energy: -151.837
flat angles P-C4'-P energy: -104.957
tors. eta vs tors. theta energy: -185.279
Dist. restrs. and SS energy: 14.501 (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: 2
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -2155.499059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2155.499059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2181.724334 (E_RNA)
where:
Base-Base interactions energy: -1499.819
where: short stacking energy: -641.631
Base-Backbone interact. energy: -2.584
local terms energy: -679.321417
where:
bonds (distance) C4'-P energy: -141.057
bonds (distance) P-C4' energy: -134.122
flat angles C4'-P-C4' energy: -152.837
flat angles P-C4'-P energy: -82.314
tors. eta vs tors. theta energy: -168.991
Dist. restrs. and SS energy: 26.225 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -2227.342174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2227.342174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2245.825170 (E_RNA)
where:
Base-Base interactions energy: -1544.888
where: short stacking energy: -633.210
Base-Backbone interact. energy: -1.220
local terms energy: -699.716854
where:
bonds (distance) C4'-P energy: -136.915
bonds (distance) P-C4' energy: -122.950
flat angles C4'-P-C4' energy: -150.987
flat angles P-C4'-P energy: -111.675
tors. eta vs tors. theta energy: -177.189
Dist. restrs. and SS energy: 18.483 (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: 5
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -2121.956716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2121.956716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2137.119809 (E_RNA)
where:
Base-Base interactions energy: -1491.627
where: short stacking energy: -620.762
Base-Backbone interact. energy: 0.196
local terms energy: -645.688585
where:
bonds (distance) C4'-P energy: -135.068
bonds (distance) P-C4' energy: -120.945
flat angles C4'-P-C4' energy: -139.657
flat angles P-C4'-P energy: -89.126
tors. eta vs tors. theta energy: -160.894
Dist. restrs. and SS energy: 15.163 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -2047.346565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2047.346565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2067.455157 (E_RNA)
where:
Base-Base interactions energy: -1423.624
where: short stacking energy: -608.778
Base-Backbone interact. energy: -2.407
local terms energy: -641.423827
where:
bonds (distance) C4'-P energy: -125.766
bonds (distance) P-C4' energy: -110.456
flat angles C4'-P-C4' energy: -140.199
flat angles P-C4'-P energy: -96.494
tors. eta vs tors. theta energy: -168.509
Dist. restrs. and SS energy: 20.109 (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: 7
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -1930.170465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1930.170465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1957.632251 (E_RNA)
where:
Base-Base interactions energy: -1367.391
where: short stacking energy: -551.538
Base-Backbone interact. energy: -2.506
local terms energy: -587.735296
where:
bonds (distance) C4'-P energy: -108.273
bonds (distance) P-C4' energy: -107.973
flat angles C4'-P-C4' energy: -135.913
flat angles P-C4'-P energy: -88.670
tors. eta vs tors. theta energy: -146.906
Dist. restrs. and SS energy: 27.462 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -1847.509577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.509577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1875.968791 (E_RNA)
where:
Base-Base interactions energy: -1280.210
where: short stacking energy: -570.989
Base-Backbone interact. energy: -2.573
local terms energy: -593.185177
where:
bonds (distance) C4'-P energy: -123.564
bonds (distance) P-C4' energy: -127.164
flat angles C4'-P-C4' energy: -118.971
flat angles P-C4'-P energy: -69.916
tors. eta vs tors. theta energy: -153.570
Dist. restrs. and SS energy: 28.459 (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: 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: 1
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -2367.566626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2367.566626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2380.522228 (E_RNA)
where:
Base-Base interactions energy: -1657.536
where: short stacking energy: -684.167
Base-Backbone interact. energy: -1.653
local terms energy: -721.333747
where:
bonds (distance) C4'-P energy: -152.549
bonds (distance) P-C4' energy: -142.473
flat angles C4'-P-C4' energy: -158.572
flat angles P-C4'-P energy: -94.669
tors. eta vs tors. theta energy: -173.070
Dist. restrs. and SS energy: 12.956 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -2314.899779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2314.899779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2329.152476 (E_RNA)
where:
Base-Base interactions energy: -1610.494
where: short stacking energy: -664.053
Base-Backbone interact. energy: -3.389
local terms energy: -715.269661
where:
bonds (distance) C4'-P energy: -143.592
bonds (distance) P-C4' energy: -130.377
flat angles C4'-P-C4' energy: -158.892
flat angles P-C4'-P energy: -101.675
tors. eta vs tors. theta energy: -180.734
Dist. restrs. and SS energy: 14.253 (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: 8
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -2321.478216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2321.478216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2331.769726 (E_RNA)
where:
Base-Base interactions energy: -1618.089
where: short stacking energy: -670.168
Base-Backbone interact. energy: -4.059
local terms energy: -709.621052
where:
bonds (distance) C4'-P energy: -134.661
bonds (distance) P-C4' energy: -152.455
flat angles C4'-P-C4' energy: -151.695
flat angles P-C4'-P energy: -91.086
tors. eta vs tors. theta energy: -179.724
Dist. restrs. and SS energy: 10.292 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -2334.347606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2334.347606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2347.456326 (E_RNA)
where:
Base-Base interactions energy: -1622.894
where: short stacking energy: -680.271
Base-Backbone interact. energy: -3.247
local terms energy: -721.314846
where:
bonds (distance) C4'-P energy: -143.726
bonds (distance) P-C4' energy: -128.286
flat angles C4'-P-C4' energy: -155.946
flat angles P-C4'-P energy: -91.916
tors. eta vs tors. theta energy: -201.441
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: 5, replica: 2
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -2076.703822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2076.703822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2099.794905 (E_RNA)
where:
Base-Base interactions energy: -1428.871
where: short stacking energy: -603.349
Base-Backbone interact. energy: -1.903
local terms energy: -669.020628
where:
bonds (distance) C4'-P energy: -122.356
bonds (distance) P-C4' energy: -144.523
flat angles C4'-P-C4' energy: -152.579
flat angles P-C4'-P energy: -86.856
tors. eta vs tors. theta energy: -162.707
Dist. restrs. and SS energy: 23.091 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -2156.597568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2156.597568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2177.456402 (E_RNA)
where:
Base-Base interactions energy: -1482.324
where: short stacking energy: -632.338
Base-Backbone interact. energy: 3.774
local terms energy: -698.906214
where:
bonds (distance) C4'-P energy: -116.368
bonds (distance) P-C4' energy: -141.731
flat angles C4'-P-C4' energy: -162.703
flat angles P-C4'-P energy: -89.840
tors. eta vs tors. theta energy: -188.264
Dist. restrs. and SS energy: 20.859 (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: 5
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -2010.716906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2010.716906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2030.082542 (E_RNA)
where:
Base-Base interactions energy: -1405.409
where: short stacking energy: -593.132
Base-Backbone interact. energy: -3.705
local terms energy: -620.969411
where:
bonds (distance) C4'-P energy: -128.635
bonds (distance) P-C4' energy: -122.884
flat angles C4'-P-C4' energy: -133.538
flat angles P-C4'-P energy: -81.666
tors. eta vs tors. theta energy: -154.246
Dist. restrs. and SS energy: 19.366 (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: 7
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -1935.855980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1935.855980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.724847 (E_RNA)
where:
Base-Base interactions energy: -1351.708
where: short stacking energy: -550.356
Base-Backbone interact. energy: 3.278
local terms energy: -610.294699
where:
bonds (distance) C4'-P energy: -101.796
bonds (distance) P-C4' energy: -117.756
flat angles C4'-P-C4' energy: -137.231
flat angles P-C4'-P energy: -86.863
tors. eta vs tors. theta energy: -166.648
Dist. restrs. and SS energy: 22.869 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -1821.584923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.584923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.885989 (E_RNA)
where:
Base-Base interactions energy: -1242.393
where: short stacking energy: -509.206
Base-Backbone interact. energy: -0.615
local terms energy: -612.877180
where:
bonds (distance) C4'-P energy: -146.972
bonds (distance) P-C4' energy: -126.126
flat angles C4'-P-C4' energy: -122.363
flat angles P-C4'-P energy: -65.154
tors. eta vs tors. theta energy: -152.263
Dist. restrs. and SS energy: 34.301 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 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: 1
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -2358.600656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2358.600656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2378.587648 (E_RNA)
where:
Base-Base interactions energy: -1657.417
where: short stacking energy: -679.493
Base-Backbone interact. energy: -1.273
local terms energy: -719.897776
where:
bonds (distance) C4'-P energy: -139.879
bonds (distance) P-C4' energy: -147.384
flat angles C4'-P-C4' energy: -154.523
flat angles P-C4'-P energy: -93.414
tors. eta vs tors. theta energy: -184.697
Dist. restrs. and SS energy: 19.987 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -2356.602844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2356.602844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2373.964160 (E_RNA)
where:
Base-Base interactions energy: -1637.121
where: short stacking energy: -687.012
Base-Backbone interact. energy: -3.537
local terms energy: -733.306798
where:
bonds (distance) C4'-P energy: -144.661
bonds (distance) P-C4' energy: -143.729
flat angles C4'-P-C4' energy: -161.945
flat angles P-C4'-P energy: -103.481
tors. eta vs tors. theta energy: -179.490
Dist. restrs. and SS energy: 17.361 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -2360.041848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2360.041848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2368.045069 (E_RNA)
where:
Base-Base interactions energy: -1639.868
where: short stacking energy: -681.938
Base-Backbone interact. energy: -0.630
local terms energy: -727.547978
where:
bonds (distance) C4'-P energy: -136.021
bonds (distance) P-C4' energy: -131.585
flat angles C4'-P-C4' energy: -152.271
flat angles P-C4'-P energy: -104.603
tors. eta vs tors. theta energy: -203.068
Dist. restrs. and SS energy: 8.003 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -2257.324470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2257.324470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2269.162416 (E_RNA)
where:
Base-Base interactions energy: -1557.519
where: short stacking energy: -664.178
Base-Backbone interact. energy: -0.921
local terms energy: -710.722403
where:
bonds (distance) C4'-P energy: -139.751
bonds (distance) P-C4' energy: -148.092
flat angles C4'-P-C4' energy: -148.002
flat angles P-C4'-P energy: -88.059
tors. eta vs tors. theta energy: -186.818
Dist. restrs. and SS energy: 11.838 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -2227.489451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2227.489451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2243.059735 (E_RNA)
where:
Base-Base interactions energy: -1550.457
where: short stacking energy: -637.211
Base-Backbone interact. energy: 1.711
local terms energy: -694.313054
where:
bonds (distance) C4'-P energy: -130.983
bonds (distance) P-C4' energy: -136.714
flat angles C4'-P-C4' energy: -149.739
flat angles P-C4'-P energy: -91.348
tors. eta vs tors. theta energy: -185.530
Dist. restrs. and SS energy: 15.570 (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: 18
Temperature: 1.150000
Total energy: -2046.883613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2046.883613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2080.119279 (E_RNA)
where:
Base-Base interactions energy: -1403.007
where: short stacking energy: -594.891
Base-Backbone interact. energy: -0.623
local terms energy: -676.488877
where:
bonds (distance) C4'-P energy: -134.431
bonds (distance) P-C4' energy: -128.044
flat angles C4'-P-C4' energy: -148.002
flat angles P-C4'-P energy: -89.389
tors. eta vs tors. theta energy: -176.624
Dist. restrs. and SS energy: 33.236 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -1988.306262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1988.306262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.367179 (E_RNA)
where:
Base-Base interactions energy: -1413.167
where: short stacking energy: -578.432
Base-Backbone interact. energy: -0.050
local terms energy: -589.150469
where:
bonds (distance) C4'-P energy: -119.839
bonds (distance) P-C4' energy: -118.379
flat angles C4'-P-C4' energy: -138.416
flat angles P-C4'-P energy: -74.723
tors. eta vs tors. theta energy: -137.793
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: 8, replica: 7
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -1927.192262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.192262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1953.891240 (E_RNA)
where:
Base-Base interactions energy: -1363.425
where: short stacking energy: -556.866
Base-Backbone interact. energy: -1.369
local terms energy: -589.097722
where:
bonds (distance) C4'-P energy: -122.706
bonds (distance) P-C4' energy: -111.526
flat angles C4'-P-C4' energy: -130.953
flat angles P-C4'-P energy: -70.144
tors. eta vs tors. theta energy: -153.768
Dist. restrs. and SS energy: 26.699 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -1887.014233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1887.014233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.574460 (E_RNA)
where:
Base-Base interactions energy: -1299.019
where: short stacking energy: -556.762
Base-Backbone interact. energy: 2.559
local terms energy: -612.114564
where:
bonds (distance) C4'-P energy: -125.513
bonds (distance) P-C4' energy: -119.210
flat angles C4'-P-C4' energy: -127.686
flat angles P-C4'-P energy: -80.581
tors. eta vs tors. theta energy: -159.126
Dist. restrs. and SS energy: 21.560 (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: 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: 1
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -2381.509664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2381.509664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2402.032419 (E_RNA)
where:
Base-Base interactions energy: -1658.193
where: short stacking energy: -686.115
Base-Backbone interact. energy: -2.246
local terms energy: -741.592980
where:
bonds (distance) C4'-P energy: -143.765
bonds (distance) P-C4' energy: -158.405
flat angles C4'-P-C4' energy: -159.091
flat angles P-C4'-P energy: -97.370
tors. eta vs tors. theta energy: -182.962
Dist. restrs. and SS energy: 20.523 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -2423.268233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2423.268233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2438.697239 (E_RNA)
where:
Base-Base interactions energy: -1665.529
where: short stacking energy: -704.486
Base-Backbone interact. energy: -0.827
local terms energy: -772.340801
where:
bonds (distance) C4'-P energy: -138.912
bonds (distance) P-C4' energy: -160.867
flat angles C4'-P-C4' energy: -158.927
flat angles P-C4'-P energy: -108.471
tors. eta vs tors. theta energy: -205.163
Dist. restrs. and SS energy: 15.429 (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: 9
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -2263.848341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2263.848341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2280.839149 (E_RNA)
where:
Base-Base interactions energy: -1579.401
where: short stacking energy: -660.879
Base-Backbone interact. energy: -2.734
local terms energy: -698.703375
where:
bonds (distance) C4'-P energy: -138.968
bonds (distance) P-C4' energy: -127.539
flat angles C4'-P-C4' energy: -147.193
flat angles P-C4'-P energy: -108.932
tors. eta vs tors. theta energy: -176.071
Dist. restrs. and SS energy: 16.991 (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: 8
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -2276.984081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2276.984081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2298.327953 (E_RNA)
where:
Base-Base interactions energy: -1571.403
where: short stacking energy: -682.076
Base-Backbone interact. energy: -2.802
local terms energy: -724.123126
where:
bonds (distance) C4'-P energy: -146.087
bonds (distance) P-C4' energy: -126.745
flat angles C4'-P-C4' energy: -151.841
flat angles P-C4'-P energy: -109.578
tors. eta vs tors. theta energy: -189.872
Dist. restrs. and SS energy: 21.344 (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: 4
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -2195.644577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2195.644577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2215.438194 (E_RNA)
where:
Base-Base interactions energy: -1528.332
where: short stacking energy: -653.573
Base-Backbone interact. energy: -1.225
local terms energy: -685.881660
where:
bonds (distance) C4'-P energy: -112.804
bonds (distance) P-C4' energy: -140.048
flat angles C4'-P-C4' energy: -137.980
flat angles P-C4'-P energy: -98.491
tors. eta vs tors. theta energy: -196.558
Dist. restrs. and SS energy: 19.794 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -2059.246654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2059.246654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2082.775466 (E_RNA)
where:
Base-Base interactions energy: -1417.987
where: short stacking energy: -586.365
Base-Backbone interact. energy: -2.054
local terms energy: -662.733701
where:
bonds (distance) C4'-P energy: -118.225
bonds (distance) P-C4' energy: -128.685
flat angles C4'-P-C4' energy: -154.340
flat angles P-C4'-P energy: -97.213
tors. eta vs tors. theta energy: -164.271
Dist. restrs. and SS energy: 23.529 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -1987.424923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1987.424923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2012.628554 (E_RNA)
where:
Base-Base interactions energy: -1403.363
where: short stacking energy: -579.886
Base-Backbone interact. energy: 1.507
local terms energy: -610.772570
where:
bonds (distance) C4'-P energy: -124.955
bonds (distance) P-C4' energy: -120.591
flat angles C4'-P-C4' energy: -133.034
flat angles P-C4'-P energy: -81.555
tors. eta vs tors. theta energy: -150.639
Dist. restrs. and SS energy: 25.204 (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: 7
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -1970.657792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1970.657792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1997.589665 (E_RNA)
where:
Base-Base interactions energy: -1381.687
where: short stacking energy: -555.084
Base-Backbone interact. energy: 0.250
local terms energy: -616.152508
where:
bonds (distance) C4'-P energy: -113.837
bonds (distance) P-C4' energy: -133.482
flat angles C4'-P-C4' energy: -127.058
flat angles P-C4'-P energy: -86.445
tors. eta vs tors. theta energy: -155.330
Dist. restrs. and SS energy: 26.932 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -1821.076732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.076732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.103864 (E_RNA)
where:
Base-Base interactions energy: -1259.057
where: short stacking energy: -534.912
Base-Backbone interact. energy: -0.490
local terms energy: -599.556708
where:
bonds (distance) C4'-P energy: -125.531
bonds (distance) P-C4' energy: -102.414
flat angles C4'-P-C4' energy: -137.735
flat angles P-C4'-P energy: -79.241
tors. eta vs tors. theta energy: -154.635
Dist. restrs. and SS energy: 38.027 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 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: -2536.885893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2536.885893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2542.955033 (E_RNA)
where:
Base-Base interactions energy: -1789.725
where: short stacking energy: -766.376
Base-Backbone interact. energy: -1.793
local terms energy: -751.437364
where:
bonds (distance) C4'-P energy: -148.328
bonds (distance) P-C4' energy: -138.573
flat angles C4'-P-C4' energy: -159.176
flat angles P-C4'-P energy: -92.376
tors. eta vs tors. theta energy: -212.984
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: 2, replica: 1
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -2376.092660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2376.092660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2397.618973 (E_RNA)
where:
Base-Base interactions energy: -1660.226
where: short stacking energy: -710.909
Base-Backbone interact. energy: -3.264
local terms energy: -734.128567
where:
bonds (distance) C4'-P energy: -133.425
bonds (distance) P-C4' energy: -139.849
flat angles C4'-P-C4' energy: -171.456
flat angles P-C4'-P energy: -99.775
tors. eta vs tors. theta energy: -189.622
Dist. restrs. and SS energy: 21.526 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -2333.620955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2333.620955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2348.059943 (E_RNA)
where:
Base-Base interactions energy: -1621.256
where: short stacking energy: -689.388
Base-Backbone interact. energy: -1.460
local terms energy: -725.344117
where:
bonds (distance) C4'-P energy: -145.373
bonds (distance) P-C4' energy: -139.867
flat angles C4'-P-C4' energy: -146.284
flat angles P-C4'-P energy: -107.615
tors. eta vs tors. theta energy: -186.206
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: 4, replica: 9
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -2214.458989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2214.458989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2240.676991 (E_RNA)
where:
Base-Base interactions energy: -1499.486
where: short stacking energy: -649.030
Base-Backbone interact. energy: -3.109
local terms energy: -738.081280
where:
bonds (distance) C4'-P energy: -143.105
bonds (distance) P-C4' energy: -134.576
flat angles C4'-P-C4' energy: -152.255
flat angles P-C4'-P energy: -107.826
tors. eta vs tors. theta energy: -200.319
Dist. restrs. and SS energy: 26.218 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -2236.822343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2236.822343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2253.473881 (E_RNA)
where:
Base-Base interactions energy: -1545.143
where: short stacking energy: -662.156
Base-Backbone interact. energy: -1.211
local terms energy: -707.120228
where:
bonds (distance) C4'-P energy: -132.653
bonds (distance) P-C4' energy: -134.098
flat angles C4'-P-C4' energy: -158.567
flat angles P-C4'-P energy: -94.915
tors. eta vs tors. theta energy: -186.888
Dist. restrs. and SS energy: 16.652 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -2076.308979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2076.308979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2105.757871 (E_RNA)
where:
Base-Base interactions energy: -1457.193
where: short stacking energy: -616.396
Base-Backbone interact. energy: -3.590
local terms energy: -644.974893
where:
bonds (distance) C4'-P energy: -115.106
bonds (distance) P-C4' energy: -129.174
flat angles C4'-P-C4' energy: -141.218
flat angles P-C4'-P energy: -79.929
tors. eta vs tors. theta energy: -179.548
Dist. restrs. and SS energy: 29.449 (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: 5
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -2014.423290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2014.423290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2032.763950 (E_RNA)
where:
Base-Base interactions energy: -1425.987
where: short stacking energy: -604.084
Base-Backbone interact. energy: -0.973
local terms energy: -605.804329
where:
bonds (distance) C4'-P energy: -124.385
bonds (distance) P-C4' energy: -111.395
flat angles C4'-P-C4' energy: -122.165
flat angles P-C4'-P energy: -86.954
tors. eta vs tors. theta energy: -160.906
Dist. restrs. and SS energy: 18.341 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -2013.704457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2013.704457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2038.940554 (E_RNA)
where:
Base-Base interactions energy: -1396.995
where: short stacking energy: -564.473
Base-Backbone interact. energy: -1.966
local terms energy: -639.979609
where:
bonds (distance) C4'-P energy: -124.292
bonds (distance) P-C4' energy: -128.402
flat angles C4'-P-C4' energy: -140.142
flat angles P-C4'-P energy: -81.389
tors. eta vs tors. theta energy: -165.755
Dist. restrs. and SS energy: 25.236 (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: 20
Temperature: 1.300000
Total energy: -1899.736355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1899.736355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.305180 (E_RNA)
where:
Base-Base interactions energy: -1328.028
where: short stacking energy: -546.664
Base-Backbone interact. energy: -3.130
local terms energy: -593.147422
where:
bonds (distance) C4'-P energy: -122.699
bonds (distance) P-C4' energy: -105.867
flat angles C4'-P-C4' energy: -119.985
flat angles P-C4'-P energy: -82.193
tors. eta vs tors. theta energy: -162.402
Dist. restrs. and SS energy: 24.569 (S_DIST_RNA)
chem. 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: -2567.477009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2567.477009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2575.304883 (E_RNA)
where:
Base-Base interactions energy: -1785.519
where: short stacking energy: -757.562
Base-Backbone interact. energy: -3.708
local terms energy: -786.077650
where:
bonds (distance) C4'-P energy: -151.721
bonds (distance) P-C4' energy: -135.826
flat angles C4'-P-C4' energy: -176.145
flat angles P-C4'-P energy: -111.090
tors. eta vs tors. theta energy: -211.295
Dist. restrs. and SS energy: 7.828 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -2322.096479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2322.096479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2338.633001 (E_RNA)
where:
Base-Base interactions energy: -1638.004
where: short stacking energy: -665.685
Base-Backbone interact. energy: 0.708
local terms energy: -701.337446
where:
bonds (distance) C4'-P energy: -150.795
bonds (distance) P-C4' energy: -140.820
flat angles C4'-P-C4' energy: -137.928
flat angles P-C4'-P energy: -98.585
tors. eta vs tors. theta energy: -173.210
Dist. restrs. and SS energy: 16.537 (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: 21
Temperature: 1.000000
Total energy: -2311.113324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2311.113324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2332.389059 (E_RNA)
where:
Base-Base interactions energy: -1602.625
where: short stacking energy: -685.603
Base-Backbone interact. energy: -4.215
local terms energy: -725.549209
where:
bonds (distance) C4'-P energy: -130.331
bonds (distance) P-C4' energy: -143.781
flat angles C4'-P-C4' energy: -157.795
flat angles P-C4'-P energy: -94.925
tors. eta vs tors. theta energy: -198.717
Dist. restrs. and SS energy: 21.276 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -2249.197295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2249.197295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2258.268338 (E_RNA)
where:
Base-Base interactions energy: -1566.760
where: short stacking energy: -662.260
Base-Backbone interact. energy: -2.570
local terms energy: -688.938397
where:
bonds (distance) C4'-P energy: -127.039
bonds (distance) P-C4' energy: -131.495
flat angles C4'-P-C4' energy: -149.539
flat angles P-C4'-P energy: -91.209
tors. eta vs tors. theta energy: -189.657
Dist. restrs. and SS energy: 9.071 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -2180.470235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2180.470235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2203.741527 (E_RNA)
where:
Base-Base interactions energy: -1516.943
where: short stacking energy: -646.658
Base-Backbone interact. energy: -0.642
local terms energy: -686.156936
where:
bonds (distance) C4'-P energy: -132.259
bonds (distance) P-C4' energy: -110.117
flat angles C4'-P-C4' energy: -149.206
flat angles P-C4'-P energy: -104.897
tors. eta vs tors. theta energy: -189.679
Dist. restrs. and SS energy: 23.271 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -2062.687270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2062.687270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2082.055900 (E_RNA)
where:
Base-Base interactions energy: -1429.693
where: short stacking energy: -586.175
Base-Backbone interact. energy: -1.071
local terms energy: -651.291528
where:
bonds (distance) C4'-P energy: -130.241
bonds (distance) P-C4' energy: -119.559
flat angles C4'-P-C4' energy: -138.813
flat angles P-C4'-P energy: -91.944
tors. eta vs tors. theta energy: -170.734
Dist. restrs. and SS energy: 19.369 (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: 21
Temperature: 1.200000
Total energy: -2123.692754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2123.692754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2136.637408 (E_RNA)
where:
Base-Base interactions energy: -1489.849
where: short stacking energy: -596.477
Base-Backbone interact. energy: -3.089
local terms energy: -643.699111
where:
bonds (distance) C4'-P energy: -128.806
bonds (distance) P-C4' energy: -134.734
flat angles C4'-P-C4' energy: -144.870
flat angles P-C4'-P energy: -73.890
tors. eta vs tors. theta energy: -161.400
Dist. restrs. and SS energy: 12.945 (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: 7
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -1999.086007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1999.086007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2022.199218 (E_RNA)
where:
Base-Base interactions energy: -1400.323
where: short stacking energy: -592.840
Base-Backbone interact. energy: 0.518
local terms energy: -622.394288
where:
bonds (distance) C4'-P energy: -115.652
bonds (distance) P-C4' energy: -115.849
flat angles C4'-P-C4' energy: -121.048
flat angles P-C4'-P energy: -95.424
tors. eta vs tors. theta energy: -174.422
Dist. restrs. and SS energy: 23.113 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -1885.495622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1885.495622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.440624 (E_RNA)
where:
Base-Base interactions energy: -1309.385
where: short stacking energy: -548.096
Base-Backbone interact. energy: -2.481
local terms energy: -600.575014
where:
bonds (distance) C4'-P energy: -119.917
bonds (distance) P-C4' energy: -128.221
flat angles C4'-P-C4' energy: -118.864
flat angles P-C4'-P energy: -74.046
tors. eta vs tors. theta energy: -159.526
Dist. restrs. and SS energy: 26.945 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 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: -2554.087890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2554.087890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2560.542979 (E_RNA)
where:
Base-Base interactions energy: -1783.723
where: short stacking energy: -767.832
Base-Backbone interact. energy: -2.330
local terms energy: -774.490092
where:
bonds (distance) C4'-P energy: -141.571
bonds (distance) P-C4' energy: -133.782
flat angles C4'-P-C4' energy: -164.982
flat angles P-C4'-P energy: -113.328
tors. eta vs tors. theta energy: -220.827
Dist. restrs. and SS energy: 6.455 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -2378.722346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2378.722346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2396.915718 (E_RNA)
where:
Base-Base interactions energy: -1678.271
where: short stacking energy: -674.949
Base-Backbone interact. energy: -1.340
local terms energy: -717.305490
where:
bonds (distance) C4'-P energy: -139.463
bonds (distance) P-C4' energy: -142.520
flat angles C4'-P-C4' energy: -156.849
flat angles P-C4'-P energy: -98.544
tors. eta vs tors. theta energy: -179.929
Dist. restrs. and SS energy: 18.193 (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: 22
Temperature: 1.000000
Total energy: -2335.378689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2335.378689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2349.899870 (E_RNA)
where:
Base-Base interactions energy: -1657.997
where: short stacking energy: -686.040
Base-Backbone interact. energy: -2.237
local terms energy: -689.665589
where:
bonds (distance) C4'-P energy: -127.452
bonds (distance) P-C4' energy: -135.512
flat angles C4'-P-C4' energy: -138.773
flat angles P-C4'-P energy: -96.828
tors. eta vs tors. theta energy: -191.101
Dist. restrs. and SS energy: 14.521 (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: 4
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -2303.069371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2303.069371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2313.486171 (E_RNA)
where:
Base-Base interactions energy: -1600.194
where: short stacking energy: -688.768
Base-Backbone interact. energy: -2.632
local terms energy: -710.659812
where:
bonds (distance) C4'-P energy: -127.479
bonds (distance) P-C4' energy: -140.861
flat angles C4'-P-C4' energy: -144.868
flat angles P-C4'-P energy: -100.121
tors. eta vs tors. theta energy: -197.331
Dist. restrs. and SS energy: 10.417 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -2203.688838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2203.688838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2224.445574 (E_RNA)
where:
Base-Base interactions energy: -1526.998
where: short stacking energy: -645.372
Base-Backbone interact. energy: 2.990
local terms energy: -700.437783
where:
bonds (distance) C4'-P energy: -137.992
bonds (distance) P-C4' energy: -125.008
flat angles C4'-P-C4' energy: -148.877
flat angles P-C4'-P energy: -102.143
tors. eta vs tors. theta energy: -186.417
Dist. restrs. and SS energy: 20.757 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -2094.558514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2094.558514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2113.449295 (E_RNA)
where:
Base-Base interactions energy: -1451.776
where: short stacking energy: -589.236
Base-Backbone interact. energy: -0.912
local terms energy: -660.761054
where:
bonds (distance) C4'-P energy: -135.766
bonds (distance) P-C4' energy: -115.594
flat angles C4'-P-C4' energy: -138.755
flat angles P-C4'-P energy: -99.445
tors. eta vs tors. theta energy: -171.201
Dist. restrs. and SS energy: 18.891 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -2158.949899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2158.949899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2176.953329 (E_RNA)
where:
Base-Base interactions energy: -1510.738
where: short stacking energy: -619.902
Base-Backbone interact. energy: 1.973
local terms energy: -668.188411
where:
bonds (distance) C4'-P energy: -132.670
bonds (distance) P-C4' energy: -107.047
flat angles C4'-P-C4' energy: -143.478
flat angles P-C4'-P energy: -91.320
tors. eta vs tors. theta energy: -193.674
Dist. restrs. and SS energy: 18.003 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -1944.449515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1944.449515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1962.981586 (E_RNA)
where:
Base-Base interactions energy: -1364.026
where: short stacking energy: -558.749
Base-Backbone interact. energy: -1.880
local terms energy: -597.075329
where:
bonds (distance) C4'-P energy: -126.516
bonds (distance) P-C4' energy: -115.175
flat angles C4'-P-C4' energy: -134.626
flat angles P-C4'-P energy: -66.604
tors. eta vs tors. theta energy: -154.154
Dist. restrs. and SS energy: 18.532 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -1910.957408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1910.957408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1926.615531 (E_RNA)
where:
Base-Base interactions energy: -1339.553
where: short stacking energy: -559.702
Base-Backbone interact. energy: -2.760
local terms energy: -584.302536
where:
bonds (distance) C4'-P energy: -112.461
bonds (distance) P-C4' energy: -122.795
flat angles C4'-P-C4' energy: -143.213
flat angles P-C4'-P energy: -58.407
tors. eta vs tors. theta energy: -147.427
Dist. restrs. and SS energy: 15.658 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 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: -2533.933467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2533.933467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2541.328570 (E_RNA)
where:
Base-Base interactions energy: -1768.621
where: short stacking energy: -745.688
Base-Backbone interact. energy: 0.171
local terms energy: -772.878929
where:
bonds (distance) C4'-P energy: -142.174
bonds (distance) P-C4' energy: -140.049
flat angles C4'-P-C4' energy: -162.415
flat angles P-C4'-P energy: -119.546
tors. eta vs tors. theta energy: -208.695
Dist. restrs. and SS energy: 7.395 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -2412.828460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2412.828460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2422.640339 (E_RNA)
where:
Base-Base interactions energy: -1674.324
where: short stacking energy: -703.610
Base-Backbone interact. energy: -1.632
local terms energy: -746.683568
where:
bonds (distance) C4'-P energy: -145.400
bonds (distance) P-C4' energy: -139.182
flat angles C4'-P-C4' energy: -164.154
flat angles P-C4'-P energy: -95.233
tors. eta vs tors. theta energy: -202.716
Dist. restrs. and SS energy: 9.812 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -2289.281792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2289.281792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2304.366836 (E_RNA)
where:
Base-Base interactions energy: -1594.073
where: short stacking energy: -644.961
Base-Backbone interact. energy: -2.254
local terms energy: -708.039744
where:
bonds (distance) C4'-P energy: -126.646
bonds (distance) P-C4' energy: -157.407
flat angles C4'-P-C4' energy: -155.220
flat angles P-C4'-P energy: -94.697
tors. eta vs tors. theta energy: -174.071
Dist. restrs. and SS energy: 15.085 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -2277.362061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2277.362061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2290.585209 (E_RNA)
where:
Base-Base interactions energy: -1619.128
where: short stacking energy: -680.998
Base-Backbone interact. energy: 2.873
local terms energy: -674.330416
where:
bonds (distance) C4'-P energy: -139.719
bonds (distance) P-C4' energy: -124.334
flat angles C4'-P-C4' energy: -144.288
flat angles P-C4'-P energy: -86.623
tors. eta vs tors. theta energy: -179.367
Dist. restrs. and SS energy: 13.223 (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: 9
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -2182.795361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2182.795361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2200.207535 (E_RNA)
where:
Base-Base interactions energy: -1522.303
where: short stacking energy: -653.759
Base-Backbone interact. energy: -0.754
local terms energy: -677.150207
where:
bonds (distance) C4'-P energy: -121.155
bonds (distance) P-C4' energy: -130.306
flat angles C4'-P-C4' energy: -148.631
flat angles P-C4'-P energy: -90.794
tors. eta vs tors. theta energy: -186.264
Dist. restrs. and SS energy: 17.412 (S_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: 23
Temperature: 1.150000
Total energy: -2181.001272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2181.001272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2190.278461 (E_RNA)
where:
Base-Base interactions energy: -1538.789
where: short stacking energy: -644.409
Base-Backbone interact. energy: -2.431
local terms energy: -649.058436
where:
bonds (distance) C4'-P energy: -126.531
bonds (distance) P-C4' energy: -110.727
flat angles C4'-P-C4' energy: -147.822
flat angles P-C4'-P energy: -79.254
tors. eta vs tors. theta energy: -184.724
Dist. restrs. and SS energy: 9.277 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -2023.611022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2023.611022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2046.716759 (E_RNA)
where:
Base-Base interactions energy: -1422.282
where: short stacking energy: -596.513
Base-Backbone interact. energy: -2.913
local terms energy: -621.522205
where:
bonds (distance) C4'-P energy: -119.863
bonds (distance) P-C4' energy: -115.472
flat angles C4'-P-C4' energy: -139.102
flat angles P-C4'-P energy: -75.649
tors. eta vs tors. theta energy: -171.437
Dist. restrs. and SS energy: 23.106 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -1986.619224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1986.619224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2005.350915 (E_RNA)
where:
Base-Base interactions energy: -1390.248
where: short stacking energy: -590.948
Base-Backbone interact. energy: -4.868
local terms energy: -610.234253
where:
bonds (distance) C4'-P energy: -108.518
bonds (distance) P-C4' energy: -115.173
flat angles C4'-P-C4' energy: -129.078
flat angles P-C4'-P energy: -84.107
tors. eta vs tors. theta energy: -173.358
Dist. restrs. and SS energy: 18.732 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -1889.086910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1889.086910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1921.062457 (E_RNA)
where:
Base-Base interactions energy: -1339.407
where: short stacking energy: -573.357
Base-Backbone interact. energy: -3.537
local terms energy: -578.118318
where:
bonds (distance) C4'-P energy: -89.905
bonds (distance) P-C4' energy: -123.466
flat angles C4'-P-C4' energy: -120.004
flat angles P-C4'-P energy: -74.063
tors. eta vs tors. theta energy: -170.681
Dist. restrs. and SS energy: 31.976 (S_DIST_RNA)
chem. 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: -2555.565835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2555.565835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2564.960954 (E_RNA)
where:
Base-Base interactions energy: -1774.443
where: short stacking energy: -754.843
Base-Backbone interact. energy: -2.902
local terms energy: -787.616821
where:
bonds (distance) C4'-P energy: -159.635
bonds (distance) P-C4' energy: -132.210
flat angles C4'-P-C4' energy: -165.648
flat angles P-C4'-P energy: -114.684
tors. eta vs tors. theta energy: -215.440
Dist. restrs. and SS energy: 9.395 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -2424.402331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2424.402331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2442.665686 (E_RNA)
where:
Base-Base interactions energy: -1694.662
where: short stacking energy: -732.657
Base-Backbone interact. energy: -3.393
local terms energy: -744.610764
where:
bonds (distance) C4'-P energy: -116.297
bonds (distance) P-C4' energy: -147.719
flat angles C4'-P-C4' energy: -158.434
flat angles P-C4'-P energy: -117.282
tors. eta vs tors. theta energy: -204.880
Dist. restrs. and SS energy: 18.263 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -2356.871824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2356.871824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2368.965066 (E_RNA)
where:
Base-Base interactions energy: -1637.528
where: short stacking energy: -719.315
Base-Backbone interact. energy: -2.593
local terms energy: -728.844739
where:
bonds (distance) C4'-P energy: -134.262
bonds (distance) P-C4' energy: -133.529
flat angles C4'-P-C4' energy: -154.628
flat angles P-C4'-P energy: -99.183
tors. eta vs tors. theta energy: -207.242
Dist. restrs. and SS energy: 12.093 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -2206.430757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2206.430757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2220.876762 (E_RNA)
where:
Base-Base interactions energy: -1527.916
where: short stacking energy: -618.229
Base-Backbone interact. energy: -1.074
local terms energy: -691.887092
where:
bonds (distance) C4'-P energy: -134.391
bonds (distance) P-C4' energy: -132.022
flat angles C4'-P-C4' energy: -151.016
flat angles P-C4'-P energy: -94.939
tors. eta vs tors. theta energy: -179.519
Dist. restrs. and SS energy: 14.446 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -2272.293756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2272.293756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2290.009699 (E_RNA)
where:
Base-Base interactions energy: -1614.257
where: short stacking energy: -675.412
Base-Backbone interact. energy: -0.420
local terms energy: -675.332708
where:
bonds (distance) C4'-P energy: -120.169
bonds (distance) P-C4' energy: -144.919
flat angles C4'-P-C4' energy: -131.594
flat angles P-C4'-P energy: -94.909
tors. eta vs tors. theta energy: -183.741
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: 6, replica: 9
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -2141.173850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2141.173850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2155.949762 (E_RNA)
where:
Base-Base interactions energy: -1505.210
where: short stacking energy: -606.216
Base-Backbone interact. energy: -2.317
local terms energy: -648.422813
where:
bonds (distance) C4'-P energy: -108.740
bonds (distance) P-C4' energy: -132.902
flat angles C4'-P-C4' energy: -136.651
flat angles P-C4'-P energy: -101.406
tors. eta vs tors. theta energy: -168.724
Dist. restrs. and SS energy: 14.776 (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: 2
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -2063.873399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2063.873399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2083.154694 (E_RNA)
where:
Base-Base interactions energy: -1443.265
where: short stacking energy: -622.645
Base-Backbone interact. energy: -1.700
local terms energy: -638.189237
where:
bonds (distance) C4'-P energy: -124.853
bonds (distance) P-C4' energy: -125.593
flat angles C4'-P-C4' energy: -125.716
flat angles P-C4'-P energy: -86.879
tors. eta vs tors. theta energy: -175.148
Dist. restrs. and SS energy: 19.281 (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: 7
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -1930.766907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1930.766907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.120143 (E_RNA)
where:
Base-Base interactions energy: -1340.658
where: short stacking energy: -567.624
Base-Backbone interact. energy: 3.452
local terms energy: -630.914199
where:
bonds (distance) C4'-P energy: -117.676
bonds (distance) P-C4' energy: -145.281
flat angles C4'-P-C4' energy: -136.418
flat angles P-C4'-P energy: -73.631
tors. eta vs tors. theta energy: -157.909
Dist. restrs. and SS energy: 37.353 (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: 6
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -1859.551262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.551262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.278533 (E_RNA)
where:
Base-Base interactions energy: -1289.964
where: short stacking energy: -538.829
Base-Backbone interact. energy: -1.579
local terms energy: -604.735372
where:
bonds (distance) C4'-P energy: -134.343
bonds (distance) P-C4' energy: -132.528
flat angles C4'-P-C4' energy: -125.817
flat angles P-C4'-P energy: -61.481
tors. eta vs tors. theta energy: -150.568
Dist. restrs. and SS energy: 36.727 (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: 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: -2520.621690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2520.621690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2528.546014 (E_RNA)
where:
Base-Base interactions energy: -1768.935
where: short stacking energy: -746.394
Base-Backbone interact. energy: -3.149
local terms energy: -756.462090
where:
bonds (distance) C4'-P energy: -147.188
bonds (distance) P-C4' energy: -134.489
flat angles C4'-P-C4' energy: -154.223
flat angles P-C4'-P energy: -106.974
tors. eta vs tors. theta energy: -213.588
Dist. restrs. and SS energy: 7.924 (S_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: 25
Temperature: 0.950000
Total energy: -2444.987358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2444.987358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2450.684270 (E_RNA)
where:
Base-Base interactions energy: -1705.183
where: short stacking energy: -694.764
Base-Backbone interact. energy: -3.439
local terms energy: -742.061933
where:
bonds (distance) C4'-P energy: -155.343
bonds (distance) P-C4' energy: -133.454
flat angles C4'-P-C4' energy: -151.282
flat angles P-C4'-P energy: -103.172
tors. eta vs tors. theta energy: -198.811
Dist. restrs. and SS energy: 5.697 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -2347.597875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2347.597875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2357.459204 (E_RNA)
where:
Base-Base interactions energy: -1651.320
where: short stacking energy: -702.071
Base-Backbone interact. energy: -3.106
local terms energy: -703.033624
where:
bonds (distance) C4'-P energy: -126.924
bonds (distance) P-C4' energy: -141.034
flat angles C4'-P-C4' energy: -147.120
flat angles P-C4'-P energy: -89.395
tors. eta vs tors. theta energy: -198.561
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: 4, replica: 5
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -2346.689927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2346.689927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2360.604083 (E_RNA)
where:
Base-Base interactions energy: -1646.318
where: short stacking energy: -713.860
Base-Backbone interact. energy: -1.117
local terms energy: -713.169202
where:
bonds (distance) C4'-P energy: -130.090
bonds (distance) P-C4' energy: -129.363
flat angles C4'-P-C4' energy: -161.489
flat angles P-C4'-P energy: -87.549
tors. eta vs tors. theta energy: -204.678
Dist. restrs. and SS energy: 13.914 (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: 1
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -2177.955440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2177.955440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2198.721865 (E_RNA)
where:
Base-Base interactions energy: -1541.727
where: short stacking energy: -642.715
Base-Backbone interact. energy: -1.355
local terms energy: -655.639339
where:
bonds (distance) C4'-P energy: -143.896
bonds (distance) P-C4' energy: -128.836
flat angles C4'-P-C4' energy: -139.188
flat angles P-C4'-P energy: -72.727
tors. eta vs tors. theta energy: -170.992
Dist. restrs. and SS energy: 20.766 (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: 2
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -2121.992901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2121.992901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2136.866838 (E_RNA)
where:
Base-Base interactions energy: -1448.831
where: short stacking energy: -615.308
Base-Backbone interact. energy: -2.239
local terms energy: -685.797162
where:
bonds (distance) C4'-P energy: -131.282
bonds (distance) P-C4' energy: -121.854
flat angles C4'-P-C4' energy: -146.083
flat angles P-C4'-P energy: -102.660
tors. eta vs tors. theta energy: -183.918
Dist. restrs. and SS energy: 14.874 (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: 9
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -2012.556358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2012.556358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2029.262269 (E_RNA)
where:
Base-Base interactions energy: -1418.506
where: short stacking energy: -592.886
Base-Backbone interact. energy: -1.502
local terms energy: -609.254535
where:
bonds (distance) C4'-P energy: -124.252
bonds (distance) P-C4' energy: -108.044
flat angles C4'-P-C4' energy: -139.386
flat angles P-C4'-P energy: -73.951
tors. eta vs tors. theta energy: -163.622
Dist. restrs. and SS energy: 16.706 (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: 7
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -1942.760706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.760706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.805663 (E_RNA)
where:
Base-Base interactions energy: -1361.721
where: short stacking energy: -591.044
Base-Backbone interact. energy: 1.641
local terms energy: -604.726345
where:
bonds (distance) C4'-P energy: -102.045
bonds (distance) P-C4' energy: -126.881
flat angles C4'-P-C4' energy: -136.014
flat angles P-C4'-P energy: -80.260
tors. eta vs tors. theta energy: -159.526
Dist. restrs. and SS energy: 22.045 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -1904.192515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1904.192515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.726168 (E_RNA)
where:
Base-Base interactions energy: -1339.676
where: short stacking energy: -579.872
Base-Backbone interact. energy: -1.546
local terms energy: -596.504207
where:
bonds (distance) C4'-P energy: -109.058
bonds (distance) P-C4' energy: -116.413
flat angles C4'-P-C4' energy: -135.459
flat angles P-C4'-P energy: -73.797
tors. eta vs tors. theta energy: -161.777
Dist. restrs. and SS energy: 33.534 (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: 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: -2586.825004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2586.825004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2594.527520 (E_RNA)
where:
Base-Base interactions energy: -1805.129
where: short stacking energy: -761.536
Base-Backbone interact. energy: -2.918
local terms energy: -786.480935
where:
bonds (distance) C4'-P energy: -155.609
bonds (distance) P-C4' energy: -145.037
flat angles C4'-P-C4' energy: -162.823
flat angles P-C4'-P energy: -104.560
tors. eta vs tors. theta energy: -218.452
Dist. restrs. and SS energy: 7.703 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -2450.477528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2450.477528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2457.883299 (E_RNA)
where:
Base-Base interactions energy: -1677.822
where: short stacking energy: -697.472
Base-Backbone interact. energy: -3.375
local terms energy: -776.686146
where:
bonds (distance) C4'-P energy: -141.641
bonds (distance) P-C4' energy: -159.061
flat angles C4'-P-C4' energy: -146.298
flat angles P-C4'-P energy: -117.594
tors. eta vs tors. theta energy: -212.092
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: 3, replica: 4
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -2366.110962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2366.110962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2383.243059 (E_RNA)
where:
Base-Base interactions energy: -1652.734
where: short stacking energy: -691.823
Base-Backbone interact. energy: 3.794
local terms energy: -734.302456
where:
bonds (distance) C4'-P energy: -140.928
bonds (distance) P-C4' energy: -147.057
flat angles C4'-P-C4' energy: -163.301
flat angles P-C4'-P energy: -91.047
tors. eta vs tors. theta energy: -191.970
Dist. restrs. and SS energy: 17.132 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -2329.646392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2329.646392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2341.757998 (E_RNA)
where:
Base-Base interactions energy: -1626.196
where: short stacking energy: -687.859
Base-Backbone interact. energy: -1.652
local terms energy: -713.910065
where:
bonds (distance) C4'-P energy: -136.419
bonds (distance) P-C4' energy: -139.987
flat angles C4'-P-C4' energy: -151.242
flat angles P-C4'-P energy: -93.606
tors. eta vs tors. theta energy: -192.655
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: 5, replica: 2
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -2221.996240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2221.996240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2233.062677 (E_RNA)
where:
Base-Base interactions energy: -1581.131
where: short stacking energy: -651.186
Base-Backbone interact. energy: -2.595
local terms energy: -649.336840
where:
bonds (distance) C4'-P energy: -105.917
bonds (distance) P-C4' energy: -119.605
flat angles C4'-P-C4' energy: -143.941
flat angles P-C4'-P energy: -96.711
tors. eta vs tors. theta energy: -183.162
Dist. restrs. and SS energy: 11.066 (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: 26
Temperature: 1.150000
Total energy: -2070.074040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2070.074040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.578570 (E_RNA)
where:
Base-Base interactions energy: -1459.137
where: short stacking energy: -615.666
Base-Backbone interact. energy: -1.096
local terms energy: -635.345755
where:
bonds (distance) C4'-P energy: -113.430
bonds (distance) P-C4' energy: -118.932
flat angles C4'-P-C4' energy: -149.972
flat angles P-C4'-P energy: -77.240
tors. eta vs tors. theta energy: -175.772
Dist. restrs. and SS energy: 25.505 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -2031.553214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2031.553214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2048.330069 (E_RNA)
where:
Base-Base interactions energy: -1447.535
where: short stacking energy: -600.022
Base-Backbone interact. energy: -1.273
local terms energy: -599.521791
where:
bonds (distance) C4'-P energy: -116.977
bonds (distance) P-C4' energy: -125.177
flat angles C4'-P-C4' energy: -125.454
flat angles P-C4'-P energy: -72.894
tors. eta vs tors. theta energy: -159.020
Dist. restrs. and SS energy: 16.777 (S_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: 26
Temperature: 1.250000
Total energy: -1971.390736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1971.390736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1994.394101 (E_RNA)
where:
Base-Base interactions energy: -1386.897
where: short stacking energy: -562.701
Base-Backbone interact. energy: -0.909
local terms energy: -606.588698
where:
bonds (distance) C4'-P energy: -108.467
bonds (distance) P-C4' energy: -132.030
flat angles C4'-P-C4' energy: -126.846
flat angles P-C4'-P energy: -85.204
tors. eta vs tors. theta energy: -154.041
Dist. restrs. and SS energy: 23.003 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -1897.278603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.278603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1930.981331 (E_RNA)
where:
Base-Base interactions energy: -1365.873
where: short stacking energy: -543.257
Base-Backbone interact. energy: -1.342
local terms energy: -563.765622
where:
bonds (distance) C4'-P energy: -108.311
bonds (distance) P-C4' energy: -118.269
flat angles C4'-P-C4' energy: -136.003
flat angles P-C4'-P energy: -62.090
tors. eta vs tors. theta energy: -139.093
Dist. restrs. and SS energy: 33.703 (S_DIST_RNA)
chem. 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: -2573.917136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2573.917136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2581.966602 (E_RNA)
where:
Base-Base interactions energy: -1818.093
where: short stacking energy: -761.153
Base-Backbone interact. energy: 0.966
local terms energy: -764.839873
where:
bonds (distance) C4'-P energy: -145.365
bonds (distance) P-C4' energy: -128.757
flat angles C4'-P-C4' energy: -174.087
flat angles P-C4'-P energy: -93.040
tors. eta vs tors. theta energy: -223.591
Dist. restrs. and SS energy: 8.049 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -2467.280603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2467.280603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2480.235761 (E_RNA)
where:
Base-Base interactions energy: -1726.737
where: short stacking energy: -755.610
Base-Backbone interact. energy: -1.653
local terms energy: -751.846520
where:
bonds (distance) C4'-P energy: -144.880
bonds (distance) P-C4' energy: -140.204
flat angles C4'-P-C4' energy: -156.044
flat angles P-C4'-P energy: -104.432
tors. eta vs tors. theta energy: -206.287
Dist. restrs. and SS energy: 12.955 (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: 4
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -2360.996829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2360.996829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2376.286214 (E_RNA)
where:
Base-Base interactions energy: -1617.717
where: short stacking energy: -675.186
Base-Backbone interact. energy: -0.385
local terms energy: -758.183467
where:
bonds (distance) C4'-P energy: -131.196
bonds (distance) P-C4' energy: -155.478
flat angles C4'-P-C4' energy: -159.566
flat angles P-C4'-P energy: -109.963
tors. eta vs tors. theta energy: -201.980
Dist. restrs. and SS energy: 15.289 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -2284.626604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2284.626604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2296.113364 (E_RNA)
where:
Base-Base interactions energy: -1596.328
where: short stacking energy: -653.037
Base-Backbone interact. energy: 0.977
local terms energy: -700.762574
where:
bonds (distance) C4'-P energy: -143.036
bonds (distance) P-C4' energy: -135.545
flat angles C4'-P-C4' energy: -137.512
flat angles P-C4'-P energy: -85.122
tors. eta vs tors. theta energy: -199.548
Dist. restrs. and SS energy: 11.487 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -2254.605717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2254.605717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2272.041698 (E_RNA)
where:
Base-Base interactions energy: -1572.591
where: short stacking energy: -656.018
Base-Backbone interact. energy: 4.227
local terms energy: -703.677903
where:
bonds (distance) C4'-P energy: -119.072
bonds (distance) P-C4' energy: -135.419
flat angles C4'-P-C4' energy: -159.410
flat angles P-C4'-P energy: -96.647
tors. eta vs tors. theta energy: -193.129
Dist. restrs. and SS energy: 17.436 (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: 9
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -2103.803917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2103.803917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2121.166766 (E_RNA)
where:
Base-Base interactions energy: -1439.421
where: short stacking energy: -618.091
Base-Backbone interact. energy: -1.048
local terms energy: -680.698294
where:
bonds (distance) C4'-P energy: -125.494
bonds (distance) P-C4' energy: -145.951
flat angles C4'-P-C4' energy: -136.184
flat angles P-C4'-P energy: -86.932
tors. eta vs tors. theta energy: -186.137
Dist. restrs. and SS energy: 17.363 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -1975.171354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1975.171354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1999.209918 (E_RNA)
where:
Base-Base interactions energy: -1359.799
where: short stacking energy: -554.619
Base-Backbone interact. energy: 0.654
local terms energy: -640.064678
where:
bonds (distance) C4'-P energy: -116.922
bonds (distance) P-C4' energy: -131.962
flat angles C4'-P-C4' energy: -151.149
flat angles P-C4'-P energy: -80.493
tors. eta vs tors. theta energy: -159.540
Dist. restrs. and SS energy: 24.039 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -1940.272487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1940.272487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.405549 (E_RNA)
where:
Base-Base interactions energy: -1355.618
where: short stacking energy: -563.640
Base-Backbone interact. energy: 4.519
local terms energy: -609.306878
where:
bonds (distance) C4'-P energy: -136.055
bonds (distance) P-C4' energy: -97.451
flat angles C4'-P-C4' energy: -135.548
flat angles P-C4'-P energy: -96.969
tors. eta vs tors. theta energy: -143.285
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: 9, replica: 6
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -1927.585840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.585840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1948.301570 (E_RNA)
where:
Base-Base interactions energy: -1347.650
where: short stacking energy: -543.128
Base-Backbone interact. energy: -0.817
local terms energy: -599.834344
where:
bonds (distance) C4'-P energy: -100.558
bonds (distance) P-C4' energy: -130.509
flat angles C4'-P-C4' energy: -144.669
flat angles P-C4'-P energy: -75.015
tors. eta vs tors. theta energy: -149.083
Dist. restrs. and SS energy: 20.716 (S_DIST_RNA)
chem. 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: 10
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -2559.786491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2559.786491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2568.890587 (E_RNA)
where:
Base-Base interactions energy: -1780.001
where: short stacking energy: -738.323
Base-Backbone interact. energy: -3.651
local terms energy: -785.238229
where:
bonds (distance) C4'-P energy: -146.214
bonds (distance) P-C4' energy: -146.831
flat angles C4'-P-C4' energy: -168.955
flat angles P-C4'-P energy: -108.359
tors. eta vs tors. theta energy: -214.879
Dist. restrs. and SS energy: 9.104 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -2489.354295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2489.354295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2502.596809 (E_RNA)
where:
Base-Base interactions energy: -1726.256
where: short stacking energy: -714.953
Base-Backbone interact. energy: -3.375
local terms energy: -772.965657
where:
bonds (distance) C4'-P energy: -126.749
bonds (distance) P-C4' energy: -158.584
flat angles C4'-P-C4' energy: -170.587
flat angles P-C4'-P energy: -106.221
tors. eta vs tors. theta energy: -210.824
Dist. restrs. and SS energy: 13.243 (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: 4
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -2351.380144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2351.380144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2366.264218 (E_RNA)
where:
Base-Base interactions energy: -1625.154
where: short stacking energy: -689.566
Base-Backbone interact. energy: -3.446
local terms energy: -737.664319
where:
bonds (distance) C4'-P energy: -122.548
bonds (distance) P-C4' energy: -157.468
flat angles C4'-P-C4' energy: -160.104
flat angles P-C4'-P energy: -99.710
tors. eta vs tors. theta energy: -197.834
Dist. restrs. and SS energy: 14.884 (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: 2
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -2268.777342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2268.777342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2280.423228 (E_RNA)
where:
Base-Base interactions energy: -1600.402
where: short stacking energy: -683.754
Base-Backbone interact. energy: -0.877
local terms energy: -679.144198
where:
bonds (distance) C4'-P energy: -127.717
bonds (distance) P-C4' energy: -124.095
flat angles C4'-P-C4' energy: -137.527
flat angles P-C4'-P energy: -92.635
tors. eta vs tors. theta energy: -197.170
Dist. restrs. and SS energy: 11.646 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -2258.938137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2258.938137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2271.769535 (E_RNA)
where:
Base-Base interactions energy: -1584.901
where: short stacking energy: -645.336
Base-Backbone interact. energy: -2.183
local terms energy: -684.685349
where:
bonds (distance) C4'-P energy: -125.521
bonds (distance) P-C4' energy: -136.135
flat angles C4'-P-C4' energy: -145.166
flat angles P-C4'-P energy: -83.822
tors. eta vs tors. theta energy: -194.042
Dist. restrs. and SS energy: 12.831 (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: 9
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -2100.796954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2100.796954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2118.107757 (E_RNA)
where:
Base-Base interactions energy: -1448.805
where: short stacking energy: -600.466
Base-Backbone interact. energy: -0.618
local terms energy: -668.683908
where:
bonds (distance) C4'-P energy: -130.650
bonds (distance) P-C4' energy: -137.217
flat angles C4'-P-C4' energy: -135.243
flat angles P-C4'-P energy: -86.157
tors. eta vs tors. theta energy: -179.417
Dist. restrs. and SS energy: 17.311 (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: 1
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -1971.347796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1971.347796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2008.437853 (E_RNA)
where:
Base-Base interactions energy: -1407.631
where: short stacking energy: -577.956
Base-Backbone interact. energy: 1.338
local terms energy: -602.144149
where:
bonds (distance) C4'-P energy: -127.140
bonds (distance) P-C4' energy: -117.725
flat angles C4'-P-C4' energy: -138.126
flat angles P-C4'-P energy: -56.420
tors. eta vs tors. theta energy: -162.733
Dist. restrs. and SS energy: 37.090 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -1997.863293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1997.863293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2023.819368 (E_RNA)
where:
Base-Base interactions energy: -1385.418
where: short stacking energy: -602.124
Base-Backbone interact. energy: 1.261
local terms energy: -639.663168
where:
bonds (distance) C4'-P energy: -117.940
bonds (distance) P-C4' energy: -123.375
flat angles C4'-P-C4' energy: -130.348
flat angles P-C4'-P energy: -88.099
tors. eta vs tors. theta energy: -179.901
Dist. restrs. and SS energy: 25.956 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -1842.676503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.676503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.213025 (E_RNA)
where:
Base-Base interactions energy: -1274.613
where: short stacking energy: -524.618
Base-Backbone interact. energy: 1.133
local terms energy: -586.733044
where:
bonds (distance) C4'-P energy: -122.332
bonds (distance) P-C4' energy: -113.396
flat angles C4'-P-C4' energy: -129.555
flat angles P-C4'-P energy: -73.846
tors. eta vs tors. theta energy: -147.604
Dist. restrs. and SS energy: 17.537 (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: 6
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -1826.051688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.051688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.384664 (E_RNA)
where:
Base-Base interactions energy: -1289.673
where: short stacking energy: -540.202
Base-Backbone interact. energy: 3.091
local terms energy: -570.802675
where:
bonds (distance) C4'-P energy: -103.988
bonds (distance) P-C4' energy: -107.857
flat angles C4'-P-C4' energy: -135.110
flat angles P-C4'-P energy: -72.378
tors. eta vs tors. theta energy: -151.471
Dist. restrs. and SS energy: 31.333 (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: 29
Temperature: 0.900000
Total energy: -2573.245966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2573.245966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2579.286805 (E_RNA)
where:
Base-Base interactions energy: -1771.122
where: short stacking energy: -722.710
Base-Backbone interact. energy: -4.894
local terms energy: -803.270433
where:
bonds (distance) C4'-P energy: -145.333
bonds (distance) P-C4' energy: -157.116
flat angles C4'-P-C4' energy: -177.406
flat angles P-C4'-P energy: -104.784
tors. eta vs tors. theta energy: -218.632
Dist. restrs. and SS energy: 6.041 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -2484.801509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2484.801509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2495.555368 (E_RNA)
where:
Base-Base interactions energy: -1724.429
where: short stacking energy: -723.974
Base-Backbone interact. energy: -4.851
local terms energy: -766.276116
where:
bonds (distance) C4'-P energy: -154.928
bonds (distance) P-C4' energy: -145.363
flat angles C4'-P-C4' energy: -155.117
flat angles P-C4'-P energy: -106.442
tors. eta vs tors. theta energy: -204.426
Dist. restrs. and SS energy: 10.754 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -2371.132338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2371.132338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2386.765393 (E_RNA)
where:
Base-Base interactions energy: -1649.794
where: short stacking energy: -688.336
Base-Backbone interact. energy: -3.877
local terms energy: -733.094822
where:
bonds (distance) C4'-P energy: -134.812
bonds (distance) P-C4' energy: -133.759
flat angles C4'-P-C4' energy: -161.881
flat angles P-C4'-P energy: -98.750
tors. eta vs tors. theta energy: -203.893
Dist. restrs. and SS energy: 15.633 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -2336.514525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2336.514525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2347.065976 (E_RNA)
where:
Base-Base interactions energy: -1634.615
where: short stacking energy: -691.812
Base-Backbone interact. energy: -3.149
local terms energy: -709.301985
where:
bonds (distance) C4'-P energy: -121.422
bonds (distance) P-C4' energy: -127.505
flat angles C4'-P-C4' energy: -161.348
flat angles P-C4'-P energy: -95.194
tors. eta vs tors. theta energy: -203.832
Dist. restrs. and SS energy: 10.551 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -2286.513021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2286.513021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2296.438576 (E_RNA)
where:
Base-Base interactions energy: -1605.925
where: short stacking energy: -693.518
Base-Backbone interact. energy: 6.099
local terms energy: -696.612701
where:
bonds (distance) C4'-P energy: -129.104
bonds (distance) P-C4' energy: -128.400
flat angles C4'-P-C4' energy: -156.430
flat angles P-C4'-P energy: -83.557
tors. eta vs tors. theta energy: -199.122
Dist. restrs. and SS energy: 9.926 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -2133.467396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2133.467396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2156.984102 (E_RNA)
where:
Base-Base interactions energy: -1507.398
where: short stacking energy: -640.819
Base-Backbone interact. energy: 4.882
local terms energy: -654.468070
where:
bonds (distance) C4'-P energy: -110.732
bonds (distance) P-C4' energy: -133.443
flat angles C4'-P-C4' energy: -154.011
flat angles P-C4'-P energy: -77.780
tors. eta vs tors. theta energy: -178.503
Dist. restrs. and SS energy: 23.517 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -1999.073371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1999.073371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2023.661069 (E_RNA)
where:
Base-Base interactions energy: -1381.602
where: short stacking energy: -598.661
Base-Backbone interact. energy: -3.724
local terms energy: -638.335224
where:
bonds (distance) C4'-P energy: -111.615
bonds (distance) P-C4' energy: -130.389
flat angles C4'-P-C4' energy: -148.377
flat angles P-C4'-P energy: -88.830
tors. eta vs tors. theta energy: -159.125
Dist. restrs. and SS energy: 24.588 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -2010.364415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2010.364415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2042.096885 (E_RNA)
where:
Base-Base interactions energy: -1423.921
where: short stacking energy: -605.943
Base-Backbone interact. energy: -2.361
local terms energy: -615.814684
where:
bonds (distance) C4'-P energy: -108.737
bonds (distance) P-C4' energy: -116.738
flat angles C4'-P-C4' energy: -134.734
flat angles P-C4'-P energy: -79.349
tors. eta vs tors. theta energy: -176.257
Dist. restrs. and SS energy: 31.732 (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: 3
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -1906.493023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.493023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.971579 (E_RNA)
where:
Base-Base interactions energy: -1332.458
where: short stacking energy: -542.593
Base-Backbone interact. energy: 8.323
local terms energy: -608.836250
where:
bonds (distance) C4'-P energy: -121.852
bonds (distance) P-C4' energy: -118.665
flat angles C4'-P-C4' energy: -128.803
flat angles P-C4'-P energy: -92.517
tors. eta vs tors. theta energy: -146.999
Dist. restrs. and SS energy: 26.479 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -1772.560550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1772.560550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.420873 (E_RNA)
where:
Base-Base interactions energy: -1243.948
where: short stacking energy: -519.814
Base-Backbone interact. energy: -1.307
local terms energy: -567.165896
where:
bonds (distance) C4'-P energy: -109.268
bonds (distance) P-C4' energy: -108.124
flat angles C4'-P-C4' energy: -104.652
flat angles P-C4'-P energy: -92.815
tors. eta vs tors. theta energy: -152.308
Dist. restrs. and SS energy: 39.860 (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: 10
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -2588.720427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2588.720427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2597.873072 (E_RNA)
where:
Base-Base interactions energy: -1804.238
where: short stacking energy: -772.347
Base-Backbone interact. energy: -0.866
local terms energy: -792.769372
where:
bonds (distance) C4'-P energy: -142.892
bonds (distance) P-C4' energy: -150.139
flat angles C4'-P-C4' energy: -176.097
flat angles P-C4'-P energy: -102.212
tors. eta vs tors. theta energy: -221.430
Dist. restrs. and SS energy: 9.153 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -2455.415017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2455.415017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2469.119501 (E_RNA)
where:
Base-Base interactions energy: -1708.671
where: short stacking energy: -725.028
Base-Backbone interact. energy: -2.945
local terms energy: -757.504224
where:
bonds (distance) C4'-P energy: -141.429
bonds (distance) P-C4' energy: -144.827
flat angles C4'-P-C4' energy: -161.076
flat angles P-C4'-P energy: -106.797
tors. eta vs tors. theta energy: -203.375
Dist. restrs. and SS energy: 13.704 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -2373.133560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2373.133560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2383.025919 (E_RNA)
where:
Base-Base interactions energy: -1679.283
where: short stacking energy: -705.067
Base-Backbone interact. energy: -2.756
local terms energy: -700.987179
where:
bonds (distance) C4'-P energy: -125.040
bonds (distance) P-C4' energy: -134.174
flat angles C4'-P-C4' energy: -152.957
flat angles P-C4'-P energy: -88.261
tors. eta vs tors. theta energy: -200.555
Dist. restrs. and SS energy: 9.892 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -2324.398469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2324.398469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2339.510904 (E_RNA)
where:
Base-Base interactions energy: -1623.618
where: short stacking energy: -696.512
Base-Backbone interact. energy: -2.817
local terms energy: -713.075765
where:
bonds (distance) C4'-P energy: -142.715
bonds (distance) P-C4' energy: -114.622
flat angles C4'-P-C4' energy: -156.176
flat angles P-C4'-P energy: -94.760
tors. eta vs tors. theta energy: -204.804
Dist. restrs. and SS energy: 15.112 (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: 30
Temperature: 1.100000
Total energy: -2177.239308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2177.239308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2190.166893 (E_RNA)
where:
Base-Base interactions energy: -1484.907
where: short stacking energy: -633.816
Base-Backbone interact. energy: -2.193
local terms energy: -703.066720
where:
bonds (distance) C4'-P energy: -129.828
bonds (distance) P-C4' energy: -135.854
flat angles C4'-P-C4' energy: -156.154
flat angles P-C4'-P energy: -101.727
tors. eta vs tors. theta energy: -179.502
Dist. restrs. and SS energy: 12.928 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -2225.445549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2225.445549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2235.723082 (E_RNA)
where:
Base-Base interactions energy: -1575.049
where: short stacking energy: -661.665
Base-Backbone interact. energy: -0.828
local terms energy: -659.846084
where:
bonds (distance) C4'-P energy: -122.796
bonds (distance) P-C4' energy: -132.157
flat angles C4'-P-C4' energy: -133.390
flat angles P-C4'-P energy: -87.419
tors. eta vs tors. theta energy: -184.084
Dist. restrs. and SS energy: 10.278 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -2151.443568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2151.443568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2164.328832 (E_RNA)
where:
Base-Base interactions energy: -1511.273
where: short stacking energy: -624.781
Base-Backbone interact. energy: -0.165
local terms energy: -652.890326
where:
bonds (distance) C4'-P energy: -115.050
bonds (distance) P-C4' energy: -121.702
flat angles C4'-P-C4' energy: -125.000
flat angles P-C4'-P energy: -85.338
tors. eta vs tors. theta energy: -205.802
Dist. restrs. and SS energy: 12.885 (S_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: 30
Temperature: 1.250000
Total energy: -1889.560143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1889.560143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1925.534504 (E_RNA)
where:
Base-Base interactions energy: -1338.351
where: short stacking energy: -534.999
Base-Backbone interact. energy: -2.057
local terms energy: -585.126508
where:
bonds (distance) C4'-P energy: -107.728
bonds (distance) P-C4' energy: -127.659
flat angles C4'-P-C4' energy: -126.422
flat angles P-C4'-P energy: -82.784
tors. eta vs tors. theta energy: -140.534
Dist. restrs. and SS energy: 35.974 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -1882.726787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1882.726787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1913.139675 (E_RNA)
where:
Base-Base interactions energy: -1342.918
where: short stacking energy: -564.651
Base-Backbone interact. energy: -2.685
local terms energy: -567.536208
where:
bonds (distance) C4'-P energy: -104.532
bonds (distance) P-C4' energy: -102.529
flat angles C4'-P-C4' energy: -124.691
flat angles P-C4'-P energy: -79.642
tors. eta vs tors. theta energy: -156.142
Dist. restrs. and SS energy: 30.413 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -1813.018587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1813.018587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.813020 (E_RNA)
where:
Base-Base interactions energy: -1286.296
where: short stacking energy: -532.314
Base-Backbone interact. energy: -2.906
local terms energy: -549.610483
where:
bonds (distance) C4'-P energy: -109.037
bonds (distance) P-C4' energy: -92.590
flat angles C4'-P-C4' energy: -120.182
flat angles P-C4'-P energy: -74.446
tors. eta vs tors. theta energy: -153.354
Dist. restrs. and SS energy: 25.794 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -2609.807626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2609.807626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2618.176090 (E_RNA)
where:
Base-Base interactions energy: -1805.640
where: short stacking energy: -757.236
Base-Backbone interact. energy: -2.125
local terms energy: -810.411439
where:
bonds (distance) C4'-P energy: -147.435
bonds (distance) P-C4' energy: -150.462
flat angles C4'-P-C4' energy: -171.207
flat angles P-C4'-P energy: -118.163
tors. eta vs tors. theta energy: -223.144
Dist. restrs. and SS energy: 8.368 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -2453.099368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2453.099368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2468.887689 (E_RNA)
where:
Base-Base interactions energy: -1705.039
where: short stacking energy: -691.715
Base-Backbone interact. energy: -1.959
local terms energy: -761.888999
where:
bonds (distance) C4'-P energy: -138.788
bonds (distance) P-C4' energy: -142.602
flat angles C4'-P-C4' energy: -169.077
flat angles P-C4'-P energy: -113.781
tors. eta vs tors. theta energy: -197.641
Dist. restrs. and SS energy: 15.788 (S_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: -2399.841393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2399.841393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2410.437157 (E_RNA)
where:
Base-Base interactions energy: -1661.512
where: short stacking energy: -703.272
Base-Backbone interact. energy: -0.872
local terms energy: -748.053502
where:
bonds (distance) C4'-P energy: -136.150
bonds (distance) P-C4' energy: -147.912
flat angles C4'-P-C4' energy: -158.390
flat angles P-C4'-P energy: -100.002
tors. eta vs tors. theta energy: -205.600
Dist. restrs. and SS energy: 10.596 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -2349.509565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2349.509565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2362.629956 (E_RNA)
where:
Base-Base interactions energy: -1635.648
where: short stacking energy: -677.724
Base-Backbone interact. energy: -1.582
local terms energy: -725.399375
where:
bonds (distance) C4'-P energy: -138.774
bonds (distance) P-C4' energy: -142.938
flat angles C4'-P-C4' energy: -157.511
flat angles P-C4'-P energy: -100.698
tors. eta vs tors. theta energy: -185.478
Dist. restrs. and SS energy: 13.120 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -2136.459951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2136.459951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2150.471417 (E_RNA)
where:
Base-Base interactions energy: -1504.747
where: short stacking energy: -638.672
Base-Backbone interact. energy: -1.165
local terms energy: -644.559032
where:
bonds (distance) C4'-P energy: -116.995
bonds (distance) P-C4' energy: -117.712
flat angles C4'-P-C4' energy: -146.871
flat angles P-C4'-P energy: -87.431
tors. eta vs tors. theta energy: -175.550
Dist. restrs. and SS energy: 14.011 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -2213.888515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2213.888515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2225.302338 (E_RNA)
where:
Base-Base interactions energy: -1529.562
where: short stacking energy: -635.548
Base-Backbone interact. energy: -2.741
local terms energy: -693.000047
where:
bonds (distance) C4'-P energy: -115.382
bonds (distance) P-C4' energy: -135.253
flat angles C4'-P-C4' energy: -143.379
flat angles P-C4'-P energy: -113.958
tors. eta vs tors. theta energy: -185.029
Dist. restrs. and SS energy: 11.414 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -2159.289775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2159.289775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2171.687474 (E_RNA)
where:
Base-Base interactions energy: -1539.856
where: short stacking energy: -641.597
Base-Backbone interact. energy: -2.504
local terms energy: -629.328036
where:
bonds (distance) C4'-P energy: -120.638
bonds (distance) P-C4' energy: -123.352
flat angles C4'-P-C4' energy: -130.789
flat angles P-C4'-P energy: -73.521
tors. eta vs tors. theta energy: -181.028
Dist. restrs. and SS energy: 12.398 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -1929.200437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1929.200437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1955.378794 (E_RNA)
where:
Base-Base interactions energy: -1331.274
where: short stacking energy: -570.239
Base-Backbone interact. energy: -2.491
local terms energy: -621.613137
where:
bonds (distance) C4'-P energy: -131.135
bonds (distance) P-C4' energy: -104.275
flat angles C4'-P-C4' energy: -130.599
flat angles P-C4'-P energy: -96.582
tors. eta vs tors. theta energy: -159.022
Dist. restrs. and SS energy: 26.178 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -1861.948528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1861.948528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1889.555735 (E_RNA)
where:
Base-Base interactions energy: -1310.335
where: short stacking energy: -543.310
Base-Backbone interact. energy: -0.307
local terms energy: -578.914325
where:
bonds (distance) C4'-P energy: -120.963
bonds (distance) P-C4' energy: -106.745
flat angles C4'-P-C4' energy: -138.672
flat angles P-C4'-P energy: -62.139
tors. eta vs tors. theta energy: -150.395
Dist. restrs. and SS energy: 27.607 (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: 31
Temperature: 1.350000
Total energy: -1787.171442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.171442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.496941 (E_RNA)
where:
Base-Base interactions energy: -1216.034
where: short stacking energy: -498.887
Base-Backbone interact. energy: 4.991
local terms energy: -598.453746
where:
bonds (distance) C4'-P energy: -115.064
bonds (distance) P-C4' energy: -114.823
flat angles C4'-P-C4' energy: -127.367
flat angles P-C4'-P energy: -92.452
tors. eta vs tors. theta energy: -148.748
Dist. restrs. and SS energy: 22.325 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -2612.108750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2612.108750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2621.015628 (E_RNA)
where:
Base-Base interactions energy: -1829.442
where: short stacking energy: -788.197
Base-Backbone interact. energy: 2.751
local terms energy: -794.323828
where:
bonds (distance) C4'-P energy: -147.039
bonds (distance) P-C4' energy: -141.953
flat angles C4'-P-C4' energy: -170.185
flat angles P-C4'-P energy: -111.737
tors. eta vs tors. theta energy: -223.409
Dist. restrs. and SS energy: 8.907 (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: 8
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -2517.534826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2517.534826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2530.107996 (E_RNA)
where:
Base-Base interactions energy: -1718.683
where: short stacking energy: -726.611
Base-Backbone interact. energy: -2.735
local terms energy: -808.690142
where:
bonds (distance) C4'-P energy: -156.739
bonds (distance) P-C4' energy: -147.041
flat angles C4'-P-C4' energy: -172.926
flat angles P-C4'-P energy: -116.333
tors. eta vs tors. theta energy: -215.652
Dist. restrs. and SS energy: 12.573 (S_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: 32
Temperature: 1.000000
Total energy: -2405.507891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2405.507891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2415.182771 (E_RNA)
where:
Base-Base interactions energy: -1666.887
where: short stacking energy: -708.178
Base-Backbone interact. energy: -1.808
local terms energy: -746.487442
where:
bonds (distance) C4'-P energy: -131.039
bonds (distance) P-C4' energy: -143.103
flat angles C4'-P-C4' energy: -153.186
flat angles P-C4'-P energy: -109.084
tors. eta vs tors. theta energy: -210.076
Dist. restrs. and SS energy: 9.675 (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: 32
Temperature: 1.050000
Total energy: -2304.406890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2304.406890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2323.240216 (E_RNA)
where:
Base-Base interactions energy: -1606.862
where: short stacking energy: -655.786
Base-Backbone interact. energy: -2.196
local terms energy: -714.182725
where:
bonds (distance) C4'-P energy: -129.416
bonds (distance) P-C4' energy: -143.755
flat angles C4'-P-C4' energy: -157.246
flat angles P-C4'-P energy: -89.546
tors. eta vs tors. theta energy: -194.221
Dist. restrs. and SS energy: 18.833 (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: 7
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -2259.418305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2259.418305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2278.780326 (E_RNA)
where:
Base-Base interactions energy: -1575.872
where: short stacking energy: -689.277
Base-Backbone interact. energy: -0.889
local terms energy: -702.020214
where:
bonds (distance) C4'-P energy: -132.347
bonds (distance) P-C4' energy: -109.227
flat angles C4'-P-C4' energy: -153.202
flat angles P-C4'-P energy: -105.371
tors. eta vs tors. theta energy: -201.874
Dist. restrs. and SS energy: 19.362 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -2100.673156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2100.673156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2118.627542 (E_RNA)
where:
Base-Base interactions energy: -1448.734
where: short stacking energy: -614.697
Base-Backbone interact. energy: 7.010
local terms energy: -676.903859
where:
bonds (distance) C4'-P energy: -133.307
bonds (distance) P-C4' energy: -121.061
flat angles C4'-P-C4' energy: -154.000
flat angles P-C4'-P energy: -87.678
tors. eta vs tors. theta energy: -180.857
Dist. restrs. and SS energy: 17.954 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -2140.607602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2140.607602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2154.730420 (E_RNA)
where:
Base-Base interactions energy: -1489.359
where: short stacking energy: -635.091
Base-Backbone interact. energy: -1.756
local terms energy: -663.614828
where:
bonds (distance) C4'-P energy: -121.289
bonds (distance) P-C4' energy: -140.012
flat angles C4'-P-C4' energy: -141.936
flat angles P-C4'-P energy: -85.670
tors. eta vs tors. theta energy: -174.707
Dist. restrs. and SS energy: 14.123 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -1933.764554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.764554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1956.038087 (E_RNA)
where:
Base-Base interactions energy: -1374.281
where: short stacking energy: -552.971
Base-Backbone interact. energy: 0.020
local terms energy: -581.777399
where:
bonds (distance) C4'-P energy: -120.260
bonds (distance) P-C4' energy: -107.688
flat angles C4'-P-C4' energy: -121.100
flat angles P-C4'-P energy: -71.972
tors. eta vs tors. theta energy: -160.758
Dist. restrs. and SS energy: 22.274 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -1889.905554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1889.905554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.067243 (E_RNA)
where:
Base-Base interactions energy: -1310.901
where: short stacking energy: -564.473
Base-Backbone interact. energy: 2.219
local terms energy: -599.385827
where:
bonds (distance) C4'-P energy: -115.994
bonds (distance) P-C4' energy: -108.869
flat angles C4'-P-C4' energy: -137.062
flat angles P-C4'-P energy: -87.385
tors. eta vs tors. theta energy: -150.076
Dist. restrs. and SS energy: 18.162 (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: 3
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -1844.355482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.355482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.151705 (E_RNA)
where:
Base-Base interactions energy: -1309.203
where: short stacking energy: -562.679
Base-Backbone interact. energy: -0.991
local terms energy: -567.958131
where:
bonds (distance) C4'-P energy: -116.360
bonds (distance) P-C4' energy: -117.871
flat angles C4'-P-C4' energy: -118.920
flat angles P-C4'-P energy: -57.142
tors. eta vs tors. theta energy: -157.666
Dist. restrs. and SS energy: 33.796 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -2603.625292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2603.625292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2609.177996 (E_RNA)
where:
Base-Base interactions energy: -1803.050
where: short stacking energy: -755.226
Base-Backbone interact. energy: -3.062
local terms energy: -803.065974
where:
bonds (distance) C4'-P energy: -148.869
bonds (distance) P-C4' energy: -142.681
flat angles C4'-P-C4' energy: -179.246
flat angles P-C4'-P energy: -112.966
tors. eta vs tors. theta energy: -219.305
Dist. restrs. and SS energy: 5.553 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -2438.135807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2438.135807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2451.121517 (E_RNA)
where:
Base-Base interactions energy: -1694.967
where: short stacking energy: -722.702
Base-Backbone interact. energy: -3.973
local terms energy: -752.181273
where:
bonds (distance) C4'-P energy: -147.642
bonds (distance) P-C4' energy: -133.581
flat angles C4'-P-C4' energy: -160.444
flat angles P-C4'-P energy: -106.702
tors. eta vs tors. theta energy: -203.812
Dist. restrs. and SS energy: 12.986 (S_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: 33
Temperature: 1.000000
Total energy: -2434.012901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2434.012901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2444.900020 (E_RNA)
where:
Base-Base interactions energy: -1699.666
where: short stacking energy: -715.347
Base-Backbone interact. energy: -1.080
local terms energy: -744.154592
where:
bonds (distance) C4'-P energy: -132.535
bonds (distance) P-C4' energy: -134.016
flat angles C4'-P-C4' energy: -165.958
flat angles P-C4'-P energy: -101.455
tors. eta vs tors. theta energy: -210.191
Dist. restrs. and SS energy: 10.887 (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: 4
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -2307.251606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2307.251606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2322.264403 (E_RNA)
where:
Base-Base interactions energy: -1610.388
where: short stacking energy: -685.828
Base-Backbone interact. energy: -2.928
local terms energy: -708.947828
where:
bonds (distance) C4'-P energy: -122.335
bonds (distance) P-C4' energy: -134.627
flat angles C4'-P-C4' energy: -162.021
flat angles P-C4'-P energy: -91.706
tors. eta vs tors. theta energy: -198.259
Dist. restrs. and SS energy: 15.013 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -2330.806134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2330.806134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2341.165725 (E_RNA)
where:
Base-Base interactions energy: -1618.745
where: short stacking energy: -688.268
Base-Backbone interact. energy: -2.070
local terms energy: -720.350255
where:
bonds (distance) C4'-P energy: -137.058
bonds (distance) P-C4' energy: -123.636
flat angles C4'-P-C4' energy: -162.281
flat angles P-C4'-P energy: -91.772
tors. eta vs tors. theta energy: -205.603
Dist. restrs. and SS energy: 10.360 (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: 2
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -2221.601024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2221.601024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2232.535060 (E_RNA)
where:
Base-Base interactions energy: -1571.297
where: short stacking energy: -644.971
Base-Backbone interact. energy: -3.671
local terms energy: -657.567510
where:
bonds (distance) C4'-P energy: -125.566
bonds (distance) P-C4' energy: -112.572
flat angles C4'-P-C4' energy: -144.937
flat angles P-C4'-P energy: -89.631
tors. eta vs tors. theta energy: -184.862
Dist. restrs. and SS energy: 10.934 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -1945.569689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1945.569689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1971.400632 (E_RNA)
where:
Base-Base interactions energy: -1365.347
where: short stacking energy: -570.446
Base-Backbone interact. energy: 3.955
local terms energy: -610.008129
where:
bonds (distance) C4'-P energy: -136.449
bonds (distance) P-C4' energy: -120.383
flat angles C4'-P-C4' energy: -134.918
flat angles P-C4'-P energy: -68.842
tors. eta vs tors. theta energy: -149.416
Dist. restrs. and SS energy: 25.831 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -1983.452773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1983.452773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2008.557516 (E_RNA)
where:
Base-Base interactions energy: -1400.191
where: short stacking energy: -588.379
Base-Backbone interact. energy: 0.440
local terms energy: -608.807281
where:
bonds (distance) C4'-P energy: -122.447
bonds (distance) P-C4' energy: -129.232
flat angles C4'-P-C4' energy: -111.370
flat angles P-C4'-P energy: -80.034
tors. eta vs tors. theta energy: -165.724
Dist. restrs. and SS energy: 25.105 (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: 1
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -1851.824860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.824860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.554437 (E_RNA)
where:
Base-Base interactions energy: -1282.355
where: short stacking energy: -512.313
Base-Backbone interact. energy: -0.990
local terms energy: -593.209767
where:
bonds (distance) C4'-P energy: -106.612
bonds (distance) P-C4' energy: -118.723
flat angles C4'-P-C4' energy: -122.186
flat angles P-C4'-P energy: -93.022
tors. eta vs tors. theta energy: -152.667
Dist. restrs. and SS energy: 24.730 (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: 33
Temperature: 1.350000
Total energy: -1909.552817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1909.552817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1930.699935 (E_RNA)
where:
Base-Base interactions energy: -1337.337
where: short stacking energy: -554.268
Base-Backbone interact. energy: -2.073
local terms energy: -591.290646
where:
bonds (distance) C4'-P energy: -120.013
bonds (distance) P-C4' energy: -125.104
flat angles C4'-P-C4' energy: -109.843
flat angles P-C4'-P energy: -88.383
tors. eta vs tors. theta energy: -147.948
Dist. restrs. and SS energy: 21.147 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -2595.905431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2595.905431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2602.777433 (E_RNA)
where:
Base-Base interactions energy: -1810.487
where: short stacking energy: -758.534
Base-Backbone interact. energy: -4.001
local terms energy: -788.289529
where:
bonds (distance) C4'-P energy: -141.034
bonds (distance) P-C4' energy: -140.056
flat angles C4'-P-C4' energy: -171.901
flat angles P-C4'-P energy: -114.907
tors. eta vs tors. theta energy: -220.392
Dist. restrs. and SS energy: 6.872 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -2520.320685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2520.320685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2531.974920 (E_RNA)
where:
Base-Base interactions energy: -1759.433
where: short stacking energy: -738.047
Base-Backbone interact. energy: -4.048
local terms energy: -768.493877
where:
bonds (distance) C4'-P energy: -140.048
bonds (distance) P-C4' energy: -145.581
flat angles C4'-P-C4' energy: -167.403
flat angles P-C4'-P energy: -100.975
tors. eta vs tors. theta energy: -214.487
Dist. restrs. and SS energy: 11.654 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -2432.011193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2432.011193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2442.128857 (E_RNA)
where:
Base-Base interactions energy: -1685.121
where: short stacking energy: -693.717
Base-Backbone interact. energy: -1.742
local terms energy: -755.265995
where:
bonds (distance) C4'-P energy: -146.828
bonds (distance) P-C4' energy: -136.442
flat angles C4'-P-C4' energy: -155.444
flat angles P-C4'-P energy: -108.632
tors. eta vs tors. theta energy: -207.920
Dist. restrs. and SS energy: 10.118 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -2306.518565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2306.518565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2325.804364 (E_RNA)
where:
Base-Base interactions energy: -1594.814
where: short stacking energy: -708.339
Base-Backbone interact. energy: -4.603
local terms energy: -726.387571
where:
bonds (distance) C4'-P energy: -124.745
bonds (distance) P-C4' energy: -140.709
flat angles C4'-P-C4' energy: -156.695
flat angles P-C4'-P energy: -104.199
tors. eta vs tors. theta energy: -200.040
Dist. restrs. and SS energy: 19.286 (S_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: 34
Temperature: 1.100000
Total energy: -2326.819004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2326.819004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2339.492768 (E_RNA)
where:
Base-Base interactions energy: -1609.458
where: short stacking energy: -684.217
Base-Backbone interact. energy: -1.478
local terms energy: -728.556452
where:
bonds (distance) C4'-P energy: -142.561
bonds (distance) P-C4' energy: -139.625
flat angles C4'-P-C4' energy: -140.874
flat angles P-C4'-P energy: -104.903
tors. eta vs tors. theta energy: -200.593
Dist. restrs. and SS energy: 12.674 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -2193.539341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2193.539341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2209.912671 (E_RNA)
where:
Base-Base interactions energy: -1530.460
where: short stacking energy: -644.689
Base-Backbone interact. energy: -4.236
local terms energy: -675.217379
where:
bonds (distance) C4'-P energy: -127.778
bonds (distance) P-C4' energy: -125.012
flat angles C4'-P-C4' energy: -148.747
flat angles P-C4'-P energy: -88.126
tors. eta vs tors. theta energy: -185.555
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: 7, replica: 6
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -2075.061658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2075.061658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2094.781004 (E_RNA)
where:
Base-Base interactions energy: -1460.759
where: short stacking energy: -638.165
Base-Backbone interact. energy: -1.605
local terms energy: -632.416439
where:
bonds (distance) C4'-P energy: -120.369
bonds (distance) P-C4' energy: -99.364
flat angles C4'-P-C4' energy: -134.859
flat angles P-C4'-P energy: -93.071
tors. eta vs tors. theta energy: -184.754
Dist. restrs. and SS energy: 19.719 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -1939.067092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.067092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1965.227789 (E_RNA)
where:
Base-Base interactions energy: -1402.815
where: short stacking energy: -595.846
Base-Backbone interact. energy: 3.803
local terms energy: -566.215273
where:
bonds (distance) C4'-P energy: -108.633
bonds (distance) P-C4' energy: -101.512
flat angles C4'-P-C4' energy: -128.429
flat angles P-C4'-P energy: -67.090
tors. eta vs tors. theta energy: -160.552
Dist. restrs. and SS energy: 26.161 (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: 34
Temperature: 1.300000
Total energy: -1915.996721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1915.996721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1938.601784 (E_RNA)
where:
Base-Base interactions energy: -1364.572
where: short stacking energy: -600.245
Base-Backbone interact. energy: 6.215
local terms energy: -580.244743
where:
bonds (distance) C4'-P energy: -105.132
bonds (distance) P-C4' energy: -108.114
flat angles C4'-P-C4' energy: -131.004
flat angles P-C4'-P energy: -83.056
tors. eta vs tors. theta energy: -152.939
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: 1
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -1758.257379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1758.257379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1789.053764 (E_RNA)
where:
Base-Base interactions energy: -1240.927
where: short stacking energy: -528.036
Base-Backbone interact. energy: -0.264
local terms energy: -547.862860
where:
bonds (distance) C4'-P energy: -104.419
bonds (distance) P-C4' energy: -120.738
flat angles C4'-P-C4' energy: -104.932
flat angles P-C4'-P energy: -75.328
tors. eta vs tors. theta energy: -142.445
Dist. restrs. and SS energy: 30.796 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -2572.920543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2572.920543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2581.046833 (E_RNA)
where:
Base-Base interactions energy: -1811.589
where: short stacking energy: -771.226
Base-Backbone interact. energy: -1.918
local terms energy: -767.540140
where:
bonds (distance) C4'-P energy: -138.242
bonds (distance) P-C4' energy: -136.770
flat angles C4'-P-C4' energy: -162.457
flat angles P-C4'-P energy: -105.802
tors. eta vs tors. theta energy: -224.268
Dist. restrs. and SS energy: 8.126 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -2504.111666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2504.111666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2513.851254 (E_RNA)
where:
Base-Base interactions energy: -1728.843
where: short stacking energy: -711.399
Base-Backbone interact. energy: -1.370
local terms energy: -783.638314
where:
bonds (distance) C4'-P energy: -135.970
bonds (distance) P-C4' energy: -159.039
flat angles C4'-P-C4' energy: -162.389
flat angles P-C4'-P energy: -113.396
tors. eta vs tors. theta energy: -212.844
Dist. restrs. and SS energy: 9.740 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -2473.764972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2473.764972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2483.183240 (E_RNA)
where:
Base-Base interactions energy: -1727.762
where: short stacking energy: -746.204
Base-Backbone interact. energy: -1.161
local terms energy: -754.259861
where:
bonds (distance) C4'-P energy: -139.772
bonds (distance) P-C4' energy: -128.910
flat angles C4'-P-C4' energy: -157.884
flat angles P-C4'-P energy: -105.939
tors. eta vs tors. theta energy: -221.756
Dist. restrs. and SS energy: 9.418 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -2289.036009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2289.036009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2305.953046 (E_RNA)
where:
Base-Base interactions energy: -1583.143
where: short stacking energy: -647.793
Base-Backbone interact. energy: -4.113
local terms energy: -718.696838
where:
bonds (distance) C4'-P energy: -134.467
bonds (distance) P-C4' energy: -144.301
flat angles C4'-P-C4' energy: -148.599
flat angles P-C4'-P energy: -94.877
tors. eta vs tors. theta energy: -196.452
Dist. restrs. and SS energy: 16.917 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -2334.157309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2334.157309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2347.059053 (E_RNA)
where:
Base-Base interactions energy: -1618.533
where: short stacking energy: -720.164
Base-Backbone interact. energy: -2.586
local terms energy: -725.940665
where:
bonds (distance) C4'-P energy: -135.581
bonds (distance) P-C4' energy: -140.340
flat angles C4'-P-C4' energy: -151.835
flat angles P-C4'-P energy: -93.783
tors. eta vs tors. theta energy: -204.401
Dist. restrs. and SS energy: 12.902 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -2186.510000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2186.510000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2201.574708 (E_RNA)
where:
Base-Base interactions energy: -1535.918
where: short stacking energy: -651.436
Base-Backbone interact. energy: 9.857
local terms energy: -675.513807
where:
bonds (distance) C4'-P energy: -137.005
bonds (distance) P-C4' energy: -143.362
flat angles C4'-P-C4' energy: -142.335
flat angles P-C4'-P energy: -60.381
tors. eta vs tors. theta energy: -192.431
Dist. restrs. and SS energy: 15.065 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -2131.988617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2131.988617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2147.907661 (E_RNA)
where:
Base-Base interactions energy: -1497.015
where: short stacking energy: -649.178
Base-Backbone interact. energy: 0.245
local terms energy: -651.137719
where:
bonds (distance) C4'-P energy: -116.673
bonds (distance) P-C4' energy: -127.332
flat angles C4'-P-C4' energy: -138.720
flat angles P-C4'-P energy: -81.566
tors. eta vs tors. theta energy: -186.846
Dist. restrs. and SS energy: 15.919 (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: 9
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -2050.540827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2050.540827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2070.960459 (E_RNA)
where:
Base-Base interactions energy: -1470.010
where: short stacking energy: -595.411
Base-Backbone interact. energy: -0.612
local terms energy: -600.338585
where:
bonds (distance) C4'-P energy: -107.833
bonds (distance) P-C4' energy: -118.388
flat angles C4'-P-C4' energy: -133.494
flat angles P-C4'-P energy: -76.995
tors. eta vs tors. theta energy: -163.628
Dist. restrs. and SS energy: 20.420 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -1974.530974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.530974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.399391 (E_RNA)
where:
Base-Base interactions energy: -1401.688
where: short stacking energy: -574.722
Base-Backbone interact. energy: -4.020
local terms energy: -584.691683
where:
bonds (distance) C4'-P energy: -100.184
bonds (distance) P-C4' energy: -126.900
flat angles C4'-P-C4' energy: -129.761
flat angles P-C4'-P energy: -64.484
tors. eta vs tors. theta energy: -163.363
Dist. restrs. and SS energy: 15.868 (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: 1
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -1732.348744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1732.348744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1772.021398 (E_RNA)
where:
Base-Base interactions energy: -1246.007
where: short stacking energy: -519.200
Base-Backbone interact. energy: -1.029
local terms energy: -524.984745
where:
bonds (distance) C4'-P energy: -100.062
bonds (distance) P-C4' energy: -106.346
flat angles C4'-P-C4' energy: -121.050
flat angles P-C4'-P energy: -75.138
tors. eta vs tors. theta energy: -122.389
Dist. restrs. and SS energy: 39.673 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -2587.272162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2587.272162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2592.649878 (E_RNA)
where:
Base-Base interactions energy: -1809.146
where: short stacking energy: -772.477
Base-Backbone interact. energy: 1.015
local terms energy: -784.519252
where:
bonds (distance) C4'-P energy: -131.185
bonds (distance) P-C4' energy: -143.627
flat angles C4'-P-C4' energy: -180.810
flat angles P-C4'-P energy: -102.755
tors. eta vs tors. theta energy: -226.142
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: 2, replica: 8
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -2516.622080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2516.622080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2527.726335 (E_RNA)
where:
Base-Base interactions energy: -1772.619
where: short stacking energy: -727.650
Base-Backbone interact. energy: -3.541
local terms energy: -751.566603
where:
bonds (distance) C4'-P energy: -145.582
bonds (distance) P-C4' energy: -141.373
flat angles C4'-P-C4' energy: -152.269
flat angles P-C4'-P energy: -102.047
tors. eta vs tors. theta energy: -210.295
Dist. restrs. and SS energy: 11.104 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -2446.272997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2446.272997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2452.743995 (E_RNA)
where:
Base-Base interactions energy: -1696.128
where: short stacking energy: -723.643
Base-Backbone interact. energy: -4.562
local terms energy: -752.054767
where:
bonds (distance) C4'-P energy: -153.060
bonds (distance) P-C4' energy: -136.869
flat angles C4'-P-C4' energy: -154.405
flat angles P-C4'-P energy: -100.040
tors. eta vs tors. theta energy: -207.681
Dist. restrs. and SS energy: 6.471 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -2293.593739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2293.593739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2312.046294 (E_RNA)
where:
Base-Base interactions energy: -1613.719
where: short stacking energy: -679.331
Base-Backbone interact. energy: 0.493
local terms energy: -698.819906
where:
bonds (distance) C4'-P energy: -126.437
bonds (distance) P-C4' energy: -131.981
flat angles C4'-P-C4' energy: -146.076
flat angles P-C4'-P energy: -87.220
tors. eta vs tors. theta energy: -207.106
Dist. restrs. and SS energy: 18.453 (S_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: 36
Temperature: 1.100000
Total energy: -2314.078100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2314.078100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2327.966467 (E_RNA)
where:
Base-Base interactions energy: -1627.284
where: short stacking energy: -692.094
Base-Backbone interact. energy: -3.291
local terms energy: -697.392275
where:
bonds (distance) C4'-P energy: -117.748
bonds (distance) P-C4' energy: -129.066
flat angles C4'-P-C4' energy: -160.694
flat angles P-C4'-P energy: -94.996
tors. eta vs tors. theta energy: -194.888
Dist. restrs. and SS energy: 13.888 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -2219.622542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2219.622542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2233.915655 (E_RNA)
where:
Base-Base interactions energy: -1538.635
where: short stacking energy: -631.338
Base-Backbone interact. energy: -0.346
local terms energy: -694.933957
where:
bonds (distance) C4'-P energy: -132.015
bonds (distance) P-C4' energy: -134.934
flat angles C4'-P-C4' energy: -144.240
flat angles P-C4'-P energy: -95.435
tors. eta vs tors. theta energy: -188.310
Dist. restrs. and SS energy: 14.293 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -2151.741256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2151.741256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2166.204485 (E_RNA)
where:
Base-Base interactions energy: -1536.314
where: short stacking energy: -638.429
Base-Backbone interact. energy: 2.953
local terms energy: -632.843515
where:
bonds (distance) C4'-P energy: -122.407
bonds (distance) P-C4' energy: -114.559
flat angles C4'-P-C4' energy: -129.333
flat angles P-C4'-P energy: -82.696
tors. eta vs tors. theta energy: -183.848
Dist. restrs. and SS energy: 14.463 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -2014.847502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2014.847502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.113289 (E_RNA)
where:
Base-Base interactions energy: -1413.309
where: short stacking energy: -578.837
Base-Backbone interact. energy: 1.820
local terms energy: -621.624416
where:
bonds (distance) C4'-P energy: -131.553
bonds (distance) P-C4' energy: -109.547
flat angles C4'-P-C4' energy: -124.761
flat angles P-C4'-P energy: -88.808
tors. eta vs tors. theta energy: -166.955
Dist. restrs. and SS energy: 18.266 (S_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: -1956.181882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.181882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.018264 (E_RNA)
where:
Base-Base interactions energy: -1366.900
where: short stacking energy: -569.567
Base-Backbone interact. energy: -3.338
local terms energy: -597.780298
where:
bonds (distance) C4'-P energy: -126.558
bonds (distance) P-C4' energy: -123.435
flat angles C4'-P-C4' energy: -117.046
flat angles P-C4'-P energy: -77.117
tors. eta vs tors. theta energy: -153.625
Dist. restrs. and SS energy: 11.836 (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: 1
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -1743.602213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1743.602213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1779.924142 (E_RNA)
where:
Base-Base interactions energy: -1239.635
where: short stacking energy: -513.146
Base-Backbone interact. energy: -2.046
local terms energy: -538.242926
where:
bonds (distance) C4'-P energy: -113.216
bonds (distance) P-C4' energy: -127.904
flat angles C4'-P-C4' energy: -107.377
flat angles P-C4'-P energy: -57.237
tors. eta vs tors. theta energy: -132.509
Dist. restrs. and SS energy: 36.322 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -2598.508031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2598.508031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2606.219612 (E_RNA)
where:
Base-Base interactions energy: -1806.353
where: short stacking energy: -789.120
Base-Backbone interact. energy: -1.810
local terms energy: -798.056403
where:
bonds (distance) C4'-P energy: -159.468
bonds (distance) P-C4' energy: -139.637
flat angles C4'-P-C4' energy: -162.732
flat angles P-C4'-P energy: -112.915
tors. eta vs tors. theta energy: -223.304
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: 2, replica: 8
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -2488.288082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2488.288082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2500.608315 (E_RNA)
where:
Base-Base interactions energy: -1729.643
where: short stacking energy: -733.449
Base-Backbone interact. energy: -0.568
local terms energy: -770.397479
where:
bonds (distance) C4'-P energy: -130.003
bonds (distance) P-C4' energy: -160.443
flat angles C4'-P-C4' energy: -153.096
flat angles P-C4'-P energy: -107.204
tors. eta vs tors. theta energy: -219.651
Dist. restrs. and SS energy: 12.320 (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: 37
Temperature: 1.000000
Total energy: -2416.297770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2416.297770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2422.994204 (E_RNA)
where:
Base-Base interactions energy: -1659.948
where: short stacking energy: -732.405
Base-Backbone interact. energy: -0.190
local terms energy: -762.856106
where:
bonds (distance) C4'-P energy: -144.075
bonds (distance) P-C4' energy: -144.416
flat angles C4'-P-C4' energy: -158.107
flat angles P-C4'-P energy: -97.294
tors. eta vs tors. theta energy: -218.964
Dist. restrs. and SS energy: 6.696 (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: 37
Temperature: 1.050000
Total energy: -2322.420860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2322.420860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2339.186702 (E_RNA)
where:
Base-Base interactions energy: -1626.203
where: short stacking energy: -682.168
Base-Backbone interact. energy: -0.402
local terms energy: -712.580941
where:
bonds (distance) C4'-P energy: -144.069
bonds (distance) P-C4' energy: -130.694
flat angles C4'-P-C4' energy: -151.828
flat angles P-C4'-P energy: -94.269
tors. eta vs tors. theta energy: -191.721
Dist. restrs. and SS energy: 16.766 (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: 7
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -2258.982772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2258.982772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2272.987370 (E_RNA)
where:
Base-Base interactions energy: -1594.735
where: short stacking energy: -670.248
Base-Backbone interact. energy: -0.573
local terms energy: -677.678552
where:
bonds (distance) C4'-P energy: -121.267
bonds (distance) P-C4' energy: -121.035
flat angles C4'-P-C4' energy: -153.647
flat angles P-C4'-P energy: -83.230
tors. eta vs tors. theta energy: -198.500
Dist. restrs. and SS energy: 14.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -2241.049058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2241.049058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2253.577027 (E_RNA)
where:
Base-Base interactions energy: -1564.643
where: short stacking energy: -666.340
Base-Backbone interact. energy: 2.500
local terms energy: -691.434463
where:
bonds (distance) C4'-P energy: -127.473
bonds (distance) P-C4' energy: -127.941
flat angles C4'-P-C4' energy: -149.202
flat angles P-C4'-P energy: -99.544
tors. eta vs tors. theta energy: -187.274
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: 7, replica: 6
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -2110.292530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2110.292530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2127.166469 (E_RNA)
where:
Base-Base interactions energy: -1486.965
where: short stacking energy: -644.826
Base-Backbone interact. energy: -1.158
local terms energy: -639.044090
where:
bonds (distance) C4'-P energy: -116.688
bonds (distance) P-C4' energy: -115.351
flat angles C4'-P-C4' energy: -140.759
flat angles P-C4'-P energy: -70.864
tors. eta vs tors. theta energy: -195.382
Dist. restrs. and SS energy: 16.874 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -2025.262740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2025.262740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2035.475290 (E_RNA)
where:
Base-Base interactions energy: -1447.375
where: short stacking energy: -575.658
Base-Backbone interact. energy: 0.912
local terms energy: -589.012239
where:
bonds (distance) C4'-P energy: -99.236
bonds (distance) P-C4' energy: -114.506
flat angles C4'-P-C4' energy: -121.140
flat angles P-C4'-P energy: -88.262
tors. eta vs tors. theta energy: -165.868
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: 9, replica: 3
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -1992.901024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1992.901024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.574780 (E_RNA)
where:
Base-Base interactions energy: -1402.295
where: short stacking energy: -579.332
Base-Backbone interact. energy: -2.192
local terms energy: -602.087664
where:
bonds (distance) C4'-P energy: -102.905
bonds (distance) P-C4' energy: -126.213
flat angles C4'-P-C4' energy: -135.614
flat angles P-C4'-P energy: -74.509
tors. eta vs tors. theta energy: -162.847
Dist. restrs. and SS energy: 13.674 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -1810.731254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.731254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.401890 (E_RNA)
where:
Base-Base interactions energy: -1293.798
where: short stacking energy: -536.826
Base-Backbone interact. energy: -2.327
local terms energy: -545.277289
where:
bonds (distance) C4'-P energy: -103.187
bonds (distance) P-C4' energy: -115.310
flat angles C4'-P-C4' energy: -104.485
flat angles P-C4'-P energy: -77.476
tors. eta vs tors. theta energy: -144.819
Dist. restrs. and SS energy: 30.671 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -2593.984248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2593.984248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2602.978070 (E_RNA)
where:
Base-Base interactions energy: -1819.935
where: short stacking energy: -763.126
Base-Backbone interact. energy: -3.819
local terms energy: -779.224268
where:
bonds (distance) C4'-P energy: -149.465
bonds (distance) P-C4' energy: -155.869
flat angles C4'-P-C4' energy: -158.355
flat angles P-C4'-P energy: -109.628
tors. eta vs tors. theta energy: -205.908
Dist. restrs. and SS energy: 8.994 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -2507.973910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2507.973910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2522.688232 (E_RNA)
where:
Base-Base interactions energy: -1757.469
where: short stacking energy: -740.943
Base-Backbone interact. energy: -2.206
local terms energy: -763.013001
where:
bonds (distance) C4'-P energy: -143.903
bonds (distance) P-C4' energy: -147.130
flat angles C4'-P-C4' energy: -171.415
flat angles P-C4'-P energy: -98.462
tors. eta vs tors. theta energy: -202.102
Dist. restrs. and SS energy: 14.714 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -2446.429952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2446.429952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2455.873990 (E_RNA)
where:
Base-Base interactions energy: -1685.331
where: short stacking energy: -729.245
Base-Backbone interact. energy: -1.233
local terms energy: -769.309353
where:
bonds (distance) C4'-P energy: -134.524
bonds (distance) P-C4' energy: -150.430
flat angles C4'-P-C4' energy: -166.102
flat angles P-C4'-P energy: -98.319
tors. eta vs tors. theta energy: -219.935
Dist. restrs. and SS energy: 9.444 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -2331.972950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2331.972950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2349.195122 (E_RNA)
where:
Base-Base interactions energy: -1649.863
where: short stacking energy: -695.960
Base-Backbone interact. energy: -1.265
local terms energy: -698.067620
where:
bonds (distance) C4'-P energy: -117.798
bonds (distance) P-C4' energy: -140.836
flat angles C4'-P-C4' energy: -155.018
flat angles P-C4'-P energy: -91.260
tors. eta vs tors. theta energy: -193.156
Dist. restrs. and SS energy: 17.222 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -2342.289602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2342.289602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2356.745788 (E_RNA)
where:
Base-Base interactions energy: -1643.008
where: short stacking energy: -706.320
Base-Backbone interact. energy: 2.325
local terms energy: -716.062064
where:
bonds (distance) C4'-P energy: -124.893
bonds (distance) P-C4' energy: -121.367
flat angles C4'-P-C4' energy: -147.142
flat angles P-C4'-P energy: -109.874
tors. eta vs tors. theta energy: -212.787
Dist. restrs. and SS energy: 14.456 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -2236.753120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2236.753120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2247.889341 (E_RNA)
where:
Base-Base interactions energy: -1565.948
where: short stacking energy: -640.343
Base-Backbone interact. energy: -3.023
local terms energy: -678.918437
where:
bonds (distance) C4'-P energy: -124.516
bonds (distance) P-C4' energy: -129.231
flat angles C4'-P-C4' energy: -151.121
flat angles P-C4'-P energy: -102.419
tors. eta vs tors. theta energy: -171.631
Dist. restrs. and SS energy: 11.136 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -2121.593846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2121.593846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2137.900380 (E_RNA)
where:
Base-Base interactions energy: -1529.566
where: short stacking energy: -649.237
Base-Backbone interact. energy: -1.464
local terms energy: -606.870788
where:
bonds (distance) C4'-P energy: -122.726
bonds (distance) P-C4' energy: -92.162
flat angles C4'-P-C4' energy: -151.532
flat angles P-C4'-P energy: -73.018
tors. eta vs tors. theta energy: -167.434
Dist. restrs. and SS energy: 16.307 (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: 6
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -2078.144911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2078.144911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2087.835593 (E_RNA)
where:
Base-Base interactions energy: -1475.821
where: short stacking energy: -601.010
Base-Backbone interact. energy: 2.493
local terms energy: -614.508002
where:
bonds (distance) C4'-P energy: -101.256
bonds (distance) P-C4' energy: -110.737
flat angles C4'-P-C4' energy: -128.628
flat angles P-C4'-P energy: -82.856
tors. eta vs tors. theta energy: -191.031
Dist. restrs. and SS energy: 9.691 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -2012.684216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2012.684216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2021.502341 (E_RNA)
where:
Base-Base interactions energy: -1429.892
where: short stacking energy: -598.148
Base-Backbone interact. energy: 0.564
local terms energy: -592.173844
where:
bonds (distance) C4'-P energy: -105.317
bonds (distance) P-C4' energy: -108.861
flat angles C4'-P-C4' energy: -126.515
flat angles P-C4'-P energy: -80.477
tors. eta vs tors. theta energy: -171.003
Dist. restrs. and SS energy: 8.818 (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: 1
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -1780.905343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1780.905343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1821.635437 (E_RNA)
where:
Base-Base interactions energy: -1242.227
where: short stacking energy: -523.538
Base-Backbone interact. energy: -7.371
local terms energy: -572.037326
where:
bonds (distance) C4'-P energy: -110.212
bonds (distance) P-C4' energy: -125.880
flat angles C4'-P-C4' energy: -121.067
flat angles P-C4'-P energy: -81.502
tors. eta vs tors. theta energy: -133.377
Dist. restrs. and SS energy: 40.730 (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: 10
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -2578.085805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2578.085805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2587.238090 (E_RNA)
where:
Base-Base interactions energy: -1813.745
where: short stacking energy: -758.802
Base-Backbone interact. energy: -1.539
local terms energy: -771.954092
where:
bonds (distance) C4'-P energy: -152.000
bonds (distance) P-C4' energy: -139.363
flat angles C4'-P-C4' energy: -171.078
flat angles P-C4'-P energy: -104.944
tors. eta vs tors. theta energy: -204.569
Dist. restrs. and SS energy: 9.152 (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: 8
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -2495.427928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2495.427928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2512.488770 (E_RNA)
where:
Base-Base interactions energy: -1743.310
where: short stacking energy: -741.504
Base-Backbone interact. energy: -3.848
local terms energy: -765.330825
where:
bonds (distance) C4'-P energy: -133.664
bonds (distance) P-C4' energy: -153.242
flat angles C4'-P-C4' energy: -156.699
flat angles P-C4'-P energy: -112.413
tors. eta vs tors. theta energy: -209.313
Dist. restrs. and SS energy: 17.061 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -2446.379955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2446.379955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2456.170349 (E_RNA)
where:
Base-Base interactions energy: -1698.718
where: short stacking energy: -721.262
Base-Backbone interact. energy: -1.239
local terms energy: -756.212787
where:
bonds (distance) C4'-P energy: -157.489
bonds (distance) P-C4' energy: -136.595
flat angles C4'-P-C4' energy: -153.407
flat angles P-C4'-P energy: -95.568
tors. eta vs tors. theta energy: -213.155
Dist. restrs. and SS energy: 9.790 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -2358.693467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2358.693467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2372.679396 (E_RNA)
where:
Base-Base interactions energy: -1636.837
where: short stacking energy: -707.742
Base-Backbone interact. energy: -2.518
local terms energy: -733.324453
where:
bonds (distance) C4'-P energy: -141.242
bonds (distance) P-C4' energy: -120.976
flat angles C4'-P-C4' energy: -149.540
flat angles P-C4'-P energy: -104.128
tors. eta vs tors. theta energy: -217.438
Dist. restrs. and SS energy: 13.986 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -2249.799510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2249.799510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2259.027813 (E_RNA)
where:
Base-Base interactions energy: -1616.065
where: short stacking energy: -657.986
Base-Backbone interact. energy: 3.920
local terms energy: -646.882575
where:
bonds (distance) C4'-P energy: -119.941
bonds (distance) P-C4' energy: -121.382
flat angles C4'-P-C4' energy: -148.827
flat angles P-C4'-P energy: -75.314
tors. eta vs tors. theta energy: -181.418
Dist. restrs. and SS energy: 9.228 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -2225.655741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2225.655741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2238.713795 (E_RNA)
where:
Base-Base interactions energy: -1587.288
where: short stacking energy: -651.066
Base-Backbone interact. energy: -4.305
local terms energy: -647.121198
where:
bonds (distance) C4'-P energy: -119.463
bonds (distance) P-C4' energy: -134.198
flat angles C4'-P-C4' energy: -133.345
flat angles P-C4'-P energy: -76.811
tors. eta vs tors. theta energy: -183.304
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: 9
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -2107.447422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2107.447422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2117.717787 (E_RNA)
where:
Base-Base interactions energy: -1493.730
where: short stacking energy: -626.085
Base-Backbone interact. energy: -3.427
local terms energy: -620.560795
where:
bonds (distance) C4'-P energy: -122.693
bonds (distance) P-C4' energy: -108.990
flat angles C4'-P-C4' energy: -132.900
flat angles P-C4'-P energy: -70.778
tors. eta vs tors. theta energy: -185.200
Dist. restrs. and SS energy: 10.270 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -2044.244274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2044.244274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2059.661214 (E_RNA)
where:
Base-Base interactions energy: -1435.444
where: short stacking energy: -619.914
Base-Backbone interact. energy: 0.188
local terms energy: -624.404976
where:
bonds (distance) C4'-P energy: -101.327
bonds (distance) P-C4' energy: -108.800
flat angles C4'-P-C4' energy: -141.353
flat angles P-C4'-P energy: -89.656
tors. eta vs tors. theta energy: -183.269
Dist. restrs. and SS energy: 15.417 (S_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: -2016.375800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2016.375800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2036.241761 (E_RNA)
where:
Base-Base interactions energy: -1415.129
where: short stacking energy: -591.053
Base-Backbone interact. energy: -3.161
local terms energy: -617.951641
where:
bonds (distance) C4'-P energy: -117.803
bonds (distance) P-C4' energy: -123.255
flat angles C4'-P-C4' energy: -133.223
flat angles P-C4'-P energy: -71.150
tors. eta vs tors. theta energy: -172.519
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: 10, replica: 1
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -1818.567146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1818.567146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.768073 (E_RNA)
where:
Base-Base interactions energy: -1276.926
where: short stacking energy: -562.251
Base-Backbone interact. energy: -1.480
local terms energy: -565.361965
where:
bonds (distance) C4'-P energy: -111.986
bonds (distance) P-C4' energy: -106.383
flat angles C4'-P-C4' energy: -122.674
flat angles P-C4'-P energy: -80.762
tors. eta vs tors. theta energy: -143.557
Dist. restrs. and SS energy: 25.201 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -2618.657305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2618.657305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2626.188996 (E_RNA)
where:
Base-Base interactions energy: -1827.048
where: short stacking energy: -783.835
Base-Backbone interact. energy: -0.409
local terms energy: -798.732583
where:
bonds (distance) C4'-P energy: -141.574
bonds (distance) P-C4' energy: -152.899
flat angles C4'-P-C4' energy: -167.630
flat angles P-C4'-P energy: -117.384
tors. eta vs tors. theta energy: -219.245
Dist. restrs. and SS energy: 7.532 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -2485.555466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2485.555466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2493.184083 (E_RNA)
where:
Base-Base interactions energy: -1739.748
where: short stacking energy: -732.765
Base-Backbone interact. energy: -0.901
local terms energy: -752.534793
where:
bonds (distance) C4'-P energy: -135.845
bonds (distance) P-C4' energy: -146.680
flat angles C4'-P-C4' energy: -167.451
flat angles P-C4'-P energy: -96.205
tors. eta vs tors. theta energy: -206.354
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: 3, replica: 5
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -2472.564834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2472.564834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2482.423760 (E_RNA)
where:
Base-Base interactions energy: -1713.827
where: short stacking energy: -730.150
Base-Backbone interact. energy: -4.745
local terms energy: -763.851689
where:
bonds (distance) C4'-P energy: -153.061
bonds (distance) P-C4' energy: -145.942
flat angles C4'-P-C4' energy: -156.551
flat angles P-C4'-P energy: -90.436
tors. eta vs tors. theta energy: -217.861
Dist. restrs. and SS energy: 9.859 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -2397.887539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2397.887539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2412.425033 (E_RNA)
where:
Base-Base interactions energy: -1651.519
where: short stacking energy: -726.873
Base-Backbone interact. energy: -3.291
local terms energy: -757.614925
where:
bonds (distance) C4'-P energy: -151.830
bonds (distance) P-C4' energy: -137.297
flat angles C4'-P-C4' energy: -159.299
flat angles P-C4'-P energy: -96.665
tors. eta vs tors. theta energy: -212.524
Dist. restrs. and SS energy: 14.537 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -2274.303688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2274.303688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2281.912370 (E_RNA)
where:
Base-Base interactions energy: -1576.024
where: short stacking energy: -644.062
Base-Backbone interact. energy: -4.185
local terms energy: -701.703420
where:
bonds (distance) C4'-P energy: -130.471
bonds (distance) P-C4' energy: -141.748
flat angles C4'-P-C4' energy: -145.945
flat angles P-C4'-P energy: -94.560
tors. eta vs tors. theta energy: -188.979
Dist. restrs. and SS energy: 7.609 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -2158.474936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2158.474936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2174.535202 (E_RNA)
where:
Base-Base interactions energy: -1497.957
where: short stacking energy: -646.527
Base-Backbone interact. energy: -1.387
local terms energy: -675.191165
where:
bonds (distance) C4'-P energy: -123.952
bonds (distance) P-C4' energy: -133.307
flat angles C4'-P-C4' energy: -143.568
flat angles P-C4'-P energy: -82.286
tors. eta vs tors. theta energy: -192.078
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: 9
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -2138.918191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2138.918191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2159.826698 (E_RNA)
where:
Base-Base interactions energy: -1524.257
where: short stacking energy: -642.857
Base-Backbone interact. energy: -0.707
local terms energy: -634.863469
where:
bonds (distance) C4'-P energy: -109.602
bonds (distance) P-C4' energy: -126.935
flat angles C4'-P-C4' energy: -143.768
flat angles P-C4'-P energy: -78.633
tors. eta vs tors. theta energy: -175.925
Dist. restrs. and SS energy: 20.909 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -2057.848911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2057.848911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2077.049286 (E_RNA)
where:
Base-Base interactions energy: -1483.926
where: short stacking energy: -637.715
Base-Backbone interact. energy: -2.564
local terms energy: -590.559211
where:
bonds (distance) C4'-P energy: -116.466
bonds (distance) P-C4' energy: -107.233
flat angles C4'-P-C4' energy: -124.171
flat angles P-C4'-P energy: -62.248
tors. eta vs tors. theta energy: -180.442
Dist. restrs. and SS energy: 19.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -1981.526024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1981.526024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1998.496778 (E_RNA)
where:
Base-Base interactions energy: -1415.850
where: short stacking energy: -586.283
Base-Backbone interact. energy: -0.202
local terms energy: -582.445256
where:
bonds (distance) C4'-P energy: -96.636
bonds (distance) P-C4' energy: -120.299
flat angles C4'-P-C4' energy: -119.722
flat angles P-C4'-P energy: -69.553
tors. eta vs tors. theta energy: -176.235
Dist. restrs. and SS energy: 16.971 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -1833.348796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.348796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.367320 (E_RNA)
where:
Base-Base interactions energy: -1285.651
where: short stacking energy: -526.115
Base-Backbone interact. energy: -1.153
local terms energy: -567.563166
where:
bonds (distance) C4'-P energy: -109.377
bonds (distance) P-C4' energy: -116.638
flat angles C4'-P-C4' energy: -127.623
flat angles P-C4'-P energy: -76.203
tors. eta vs tors. theta energy: -137.723
Dist. restrs. and SS energy: 21.019 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -2615.996578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2615.996578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2622.689203 (E_RNA)
where:
Base-Base interactions energy: -1827.678
where: short stacking energy: -755.461
Base-Backbone interact. energy: -3.527
local terms energy: -791.484496
where:
bonds (distance) C4'-P energy: -147.242
bonds (distance) P-C4' energy: -146.878
flat angles C4'-P-C4' energy: -166.458
flat angles P-C4'-P energy: -111.573
tors. eta vs tors. theta energy: -219.335
Dist. restrs. and SS energy: 6.693 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -2512.136055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2512.136055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2519.338770 (E_RNA)
where:
Base-Base interactions energy: -1754.910
where: short stacking energy: -732.117
Base-Backbone interact. energy: -1.247
local terms energy: -763.181749
where:
bonds (distance) C4'-P energy: -133.819
bonds (distance) P-C4' energy: -143.626
flat angles C4'-P-C4' energy: -147.166
flat angles P-C4'-P energy: -112.334
tors. eta vs tors. theta energy: -226.236
Dist. restrs. and SS energy: 7.203 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -2461.348529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2461.348529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2476.518529 (E_RNA)
where:
Base-Base interactions energy: -1743.434
where: short stacking energy: -736.658
Base-Backbone interact. energy: -4.164
local terms energy: -728.920768
where:
bonds (distance) C4'-P energy: -129.761
bonds (distance) P-C4' energy: -144.841
flat angles C4'-P-C4' energy: -157.295
flat angles P-C4'-P energy: -87.948
tors. eta vs tors. theta energy: -209.076
Dist. restrs. and SS energy: 15.170 (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: 7
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -2389.621061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2389.621061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2399.238822 (E_RNA)
where:
Base-Base interactions energy: -1663.441
where: short stacking energy: -697.627
Base-Backbone interact. energy: 2.148
local terms energy: -737.945303
where:
bonds (distance) C4'-P energy: -121.501
bonds (distance) P-C4' energy: -147.404
flat angles C4'-P-C4' energy: -160.958
flat angles P-C4'-P energy: -102.775
tors. eta vs tors. theta energy: -205.308
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: 5, replica: 2
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -2314.107645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2314.107645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2324.031580 (E_RNA)
where:
Base-Base interactions energy: -1640.668
where: short stacking energy: -688.200
Base-Backbone interact. energy: -1.765
local terms energy: -681.598710
where:
bonds (distance) C4'-P energy: -127.443
bonds (distance) P-C4' energy: -121.913
flat angles C4'-P-C4' energy: -139.034
flat angles P-C4'-P energy: -96.286
tors. eta vs tors. theta energy: -196.922
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: 6, replica: 9
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -2170.801358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2170.801358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2182.024042 (E_RNA)
where:
Base-Base interactions energy: -1536.140
where: short stacking energy: -630.168
Base-Backbone interact. energy: -3.244
local terms energy: -642.639737
where:
bonds (distance) C4'-P energy: -118.428
bonds (distance) P-C4' energy: -126.025
flat angles C4'-P-C4' energy: -139.817
flat angles P-C4'-P energy: -79.951
tors. eta vs tors. theta energy: -178.419
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: 7, replica: 4
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -2116.353079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2116.353079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2135.435222 (E_RNA)
where:
Base-Base interactions energy: -1474.280
where: short stacking energy: -600.335
Base-Backbone interact. energy: -2.496
local terms energy: -658.659546
where:
bonds (distance) C4'-P energy: -119.909
bonds (distance) P-C4' energy: -107.937
flat angles C4'-P-C4' energy: -147.488
flat angles P-C4'-P energy: -95.161
tors. eta vs tors. theta energy: -188.164
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: 8, replica: 6
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -2077.549235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2077.549235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2104.245813 (E_RNA)
where:
Base-Base interactions energy: -1435.726
where: short stacking energy: -606.165
Base-Backbone interact. energy: 2.734
local terms energy: -671.254193
where:
bonds (distance) C4'-P energy: -133.332
bonds (distance) P-C4' energy: -131.115
flat angles C4'-P-C4' energy: -134.940
flat angles P-C4'-P energy: -100.467
tors. eta vs tors. theta energy: -171.400
Dist. restrs. and SS energy: 26.697 (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: 3
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -1961.160719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1961.160719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1979.446782 (E_RNA)
where:
Base-Base interactions energy: -1364.258
where: short stacking energy: -588.069
Base-Backbone interact. energy: -1.799
local terms energy: -613.389424
where:
bonds (distance) C4'-P energy: -110.638
bonds (distance) P-C4' energy: -133.726
flat angles C4'-P-C4' energy: -120.710
flat angles P-C4'-P energy: -75.154
tors. eta vs tors. theta energy: -173.161
Dist. restrs. and SS energy: 18.286 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -1815.395662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1815.395662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.199323 (E_RNA)
where:
Base-Base interactions energy: -1268.437
where: short stacking energy: -515.758
Base-Backbone interact. energy: -1.172
local terms energy: -573.591104
where:
bonds (distance) C4'-P energy: -107.799
bonds (distance) P-C4' energy: -109.634
flat angles C4'-P-C4' energy: -131.765
flat angles P-C4'-P energy: -83.539
tors. eta vs tors. theta energy: -140.855
Dist. restrs. and SS energy: 27.804 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -2571.558230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2571.558230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2582.003777 (E_RNA)
where:
Base-Base interactions energy: -1778.685
where: short stacking energy: -738.462
Base-Backbone interact. energy: -3.421
local terms energy: -799.897741
where:
bonds (distance) C4'-P energy: -144.835
bonds (distance) P-C4' energy: -152.835
flat angles C4'-P-C4' energy: -154.228
flat angles P-C4'-P energy: -126.072
tors. eta vs tors. theta energy: -221.927
Dist. restrs. and SS energy: 10.446 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -2570.171208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2570.171208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2577.036172 (E_RNA)
where:
Base-Base interactions energy: -1816.436
where: short stacking energy: -782.827
Base-Backbone interact. energy: -2.593
local terms energy: -758.007567
where:
bonds (distance) C4'-P energy: -132.256
bonds (distance) P-C4' energy: -135.623
flat angles C4'-P-C4' energy: -153.283
flat angles P-C4'-P energy: -110.513
tors. eta vs tors. theta energy: -226.332
Dist. restrs. and SS energy: 6.865 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -2454.142684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2454.142684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2467.766979 (E_RNA)
where:
Base-Base interactions energy: -1718.287
where: short stacking energy: -722.956
Base-Backbone interact. energy: -1.595
local terms energy: -747.884427
where:
bonds (distance) C4'-P energy: -139.305
bonds (distance) P-C4' energy: -140.554
flat angles C4'-P-C4' energy: -163.735
flat angles P-C4'-P energy: -97.745
tors. eta vs tors. theta energy: -206.545
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: 4, replica: 7
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -2337.194333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2337.194333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2351.734620 (E_RNA)
where:
Base-Base interactions energy: -1645.061
where: short stacking energy: -701.814
Base-Backbone interact. energy: 0.916
local terms energy: -707.589605
where:
bonds (distance) C4'-P energy: -110.964
bonds (distance) P-C4' energy: -130.334
flat angles C4'-P-C4' energy: -158.859
flat angles P-C4'-P energy: -110.624
tors. eta vs tors. theta energy: -196.809
Dist. restrs. and SS energy: 14.540 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -2329.147766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2329.147766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2336.935663 (E_RNA)
where:
Base-Base interactions energy: -1660.928
where: short stacking energy: -686.571
Base-Backbone interact. energy: -0.278
local terms energy: -675.730275
where:
bonds (distance) C4'-P energy: -106.989
bonds (distance) P-C4' energy: -126.136
flat angles C4'-P-C4' energy: -153.640
flat angles P-C4'-P energy: -84.739
tors. eta vs tors. theta energy: -204.226
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: 6, replica: 9
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -2179.547370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2179.547370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2193.900740 (E_RNA)
where:
Base-Base interactions energy: -1532.027
where: short stacking energy: -663.580
Base-Backbone interact. energy: -3.131
local terms energy: -658.743441
where:
bonds (distance) C4'-P energy: -137.899
bonds (distance) P-C4' energy: -126.553
flat angles C4'-P-C4' energy: -138.885
flat angles P-C4'-P energy: -85.350
tors. eta vs tors. theta energy: -170.057
Dist. restrs. and SS energy: 14.353 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -2118.869708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2118.869708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2133.432916 (E_RNA)
where:
Base-Base interactions energy: -1499.394
where: short stacking energy: -624.247
Base-Backbone interact. energy: 5.465
local terms energy: -639.503301
where:
bonds (distance) C4'-P energy: -112.935
bonds (distance) P-C4' energy: -136.219
flat angles C4'-P-C4' energy: -144.192
flat angles P-C4'-P energy: -83.204
tors. eta vs tors. theta energy: -162.954
Dist. restrs. and SS energy: 14.563 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -2026.995890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2026.995890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2041.065432 (E_RNA)
where:
Base-Base interactions energy: -1413.923
where: short stacking energy: -556.787
Base-Backbone interact. energy: -2.299
local terms energy: -624.843739
where:
bonds (distance) C4'-P energy: -140.028
bonds (distance) P-C4' energy: -126.431
flat angles C4'-P-C4' energy: -110.272
flat angles P-C4'-P energy: -78.423
tors. eta vs tors. theta energy: -169.690
Dist. restrs. and SS energy: 14.070 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -1978.541163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1978.541163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1998.724830 (E_RNA)
where:
Base-Base interactions energy: -1398.966
where: short stacking energy: -595.348
Base-Backbone interact. energy: 4.792
local terms energy: -604.550743
where:
bonds (distance) C4'-P energy: -106.369
bonds (distance) P-C4' energy: -106.692
flat angles C4'-P-C4' energy: -124.978
flat angles P-C4'-P energy: -90.418
tors. eta vs tors. theta energy: -176.094
Dist. restrs. and SS energy: 20.184 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -1862.097326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1862.097326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1888.626368 (E_RNA)
where:
Base-Base interactions energy: -1299.606
where: short stacking energy: -531.076
Base-Backbone interact. energy: 4.096
local terms energy: -593.115566
where:
bonds (distance) C4'-P energy: -122.298
bonds (distance) P-C4' energy: -115.411
flat angles C4'-P-C4' energy: -123.788
flat angles P-C4'-P energy: -89.480
tors. eta vs tors. theta energy: -142.138
Dist. restrs. and SS energy: 26.529 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -2562.858619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2562.858619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2571.596998 (E_RNA)
where:
Base-Base interactions energy: -1777.608
where: short stacking energy: -746.059
Base-Backbone interact. energy: -2.098
local terms energy: -791.890963
where:
bonds (distance) C4'-P energy: -147.123
bonds (distance) P-C4' energy: -147.267
flat angles C4'-P-C4' energy: -160.975
flat angles P-C4'-P energy: -117.846
tors. eta vs tors. theta energy: -218.681
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: 2, replica: 10
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -2564.282400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2564.282400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2569.897877 (E_RNA)
where:
Base-Base interactions energy: -1786.463
where: short stacking energy: -753.805
Base-Backbone interact. energy: -0.896
local terms energy: -782.538790
where:
bonds (distance) C4'-P energy: -132.049
bonds (distance) P-C4' energy: -148.435
flat angles C4'-P-C4' energy: -162.123
flat angles P-C4'-P energy: -108.819
tors. eta vs tors. theta energy: -231.113
Dist. restrs. and SS energy: 5.615 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -2472.733605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2472.733605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2484.562516 (E_RNA)
where:
Base-Base interactions energy: -1720.019
where: short stacking energy: -736.463
Base-Backbone interact. energy: 1.342
local terms energy: -765.885806
where:
bonds (distance) C4'-P energy: -145.276
bonds (distance) P-C4' energy: -135.748
flat angles C4'-P-C4' energy: -163.769
flat angles P-C4'-P energy: -98.490
tors. eta vs tors. theta energy: -222.603
Dist. restrs. and SS energy: 11.829 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -2367.652729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2367.652729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2377.393308 (E_RNA)
where:
Base-Base interactions energy: -1627.805
where: short stacking energy: -688.608
Base-Backbone interact. energy: -2.198
local terms energy: -747.390872
where:
bonds (distance) C4'-P energy: -143.751
bonds (distance) P-C4' energy: -138.240
flat angles C4'-P-C4' energy: -154.454
flat angles P-C4'-P energy: -102.156
tors. eta vs tors. theta energy: -208.790
Dist. restrs. and SS energy: 9.741 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -2337.219913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2337.219913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2349.438243 (E_RNA)
where:
Base-Base interactions energy: -1623.420
where: short stacking energy: -690.965
Base-Backbone interact. energy: -1.596
local terms energy: -724.421843
where:
bonds (distance) C4'-P energy: -123.036
bonds (distance) P-C4' energy: -134.702
flat angles C4'-P-C4' energy: -156.292
flat angles P-C4'-P energy: -98.453
tors. eta vs tors. theta energy: -211.938
Dist. restrs. and SS energy: 12.218 (S_DIST_RNA)
chem. 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: -2181.103962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2181.103962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2194.582231 (E_RNA)
where:
Base-Base interactions energy: -1540.559
where: short stacking energy: -636.674
Base-Backbone interact. energy: 1.748
local terms energy: -655.771210
where:
bonds (distance) C4'-P energy: -119.163
bonds (distance) P-C4' energy: -116.599
flat angles C4'-P-C4' energy: -140.249
flat angles P-C4'-P energy: -99.435
tors. eta vs tors. theta energy: -180.326
Dist. restrs. and SS energy: 13.478 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -2089.797480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2089.797480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.494169 (E_RNA)
where:
Base-Base interactions energy: -1448.470
where: short stacking energy: -588.838
Base-Backbone interact. energy: 2.782
local terms energy: -660.806050
where:
bonds (distance) C4'-P energy: -112.661
bonds (distance) P-C4' energy: -130.978
flat angles C4'-P-C4' energy: -139.109
flat angles P-C4'-P energy: -109.343
tors. eta vs tors. theta energy: -168.715
Dist. restrs. and SS energy: 16.697 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -2026.668664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2026.668664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2041.476033 (E_RNA)
where:
Base-Base interactions energy: -1414.303
where: short stacking energy: -578.299
Base-Backbone interact. energy: -1.342
local terms energy: -625.830996
where:
bonds (distance) C4'-P energy: -109.069
bonds (distance) P-C4' energy: -128.325
flat angles C4'-P-C4' energy: -143.674
flat angles P-C4'-P energy: -82.217
tors. eta vs tors. theta energy: -162.546
Dist. restrs. and SS energy: 14.807 (S_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: -1925.354607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.354607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1945.532090 (E_RNA)
where:
Base-Base interactions energy: -1373.411
where: short stacking energy: -579.183
Base-Backbone interact. energy: 2.081
local terms energy: -574.202591
where:
bonds (distance) C4'-P energy: -89.046
bonds (distance) P-C4' energy: -120.601
flat angles C4'-P-C4' energy: -128.590
flat angles P-C4'-P energy: -73.951
tors. eta vs tors. theta energy: -162.014
Dist. restrs. and SS energy: 20.177 (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: 1
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -1840.275152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.275152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.907971 (E_RNA)
where:
Base-Base interactions energy: -1295.793
where: short stacking energy: -529.147
Base-Backbone interact. energy: -3.001
local terms energy: -568.113433
where:
bonds (distance) C4'-P energy: -139.041
bonds (distance) P-C4' energy: -106.674
flat angles C4'-P-C4' energy: -115.095
flat angles P-C4'-P energy: -63.116
tors. eta vs tors. theta energy: -144.186
Dist. restrs. and SS energy: 26.633 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -2578.320230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2578.320230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2587.753704 (E_RNA)
where:
Base-Base interactions energy: -1790.015
where: short stacking energy: -758.962
Base-Backbone interact. energy: -2.433
local terms energy: -795.305956
where:
bonds (distance) C4'-P energy: -151.924
bonds (distance) P-C4' energy: -145.968
flat angles C4'-P-C4' energy: -163.776
flat angles P-C4'-P energy: -112.066
tors. eta vs tors. theta energy: -221.571
Dist. restrs. and SS energy: 9.433 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -2554.528576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2554.528576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2563.062743 (E_RNA)
where:
Base-Base interactions energy: -1768.399
where: short stacking energy: -759.088
Base-Backbone interact. energy: -2.556
local terms energy: -792.107822
where:
bonds (distance) C4'-P energy: -136.767
bonds (distance) P-C4' energy: -153.106
flat angles C4'-P-C4' energy: -169.631
flat angles P-C4'-P energy: -115.450
tors. eta vs tors. theta energy: -217.154
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: 3, replica: 8
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -2456.529571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2456.529571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2464.508384 (E_RNA)
where:
Base-Base interactions energy: -1707.623
where: short stacking energy: -713.600
Base-Backbone interact. energy: -1.465
local terms energy: -755.420931
where:
bonds (distance) C4'-P energy: -126.378
bonds (distance) P-C4' energy: -145.920
flat angles C4'-P-C4' energy: -164.722
flat angles P-C4'-P energy: -108.000
tors. eta vs tors. theta energy: -210.401
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: 2
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -2362.959092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2362.959092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2373.493841 (E_RNA)
where:
Base-Base interactions energy: -1655.997
where: short stacking energy: -723.235
Base-Backbone interact. energy: -0.302
local terms energy: -717.195367
where:
bonds (distance) C4'-P energy: -122.217
bonds (distance) P-C4' energy: -142.571
flat angles C4'-P-C4' energy: -143.470
flat angles P-C4'-P energy: -96.663
tors. eta vs tors. theta energy: -212.274
Dist. restrs. and SS energy: 10.535 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -2288.571650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2288.571650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2310.444681 (E_RNA)
where:
Base-Base interactions energy: -1580.671
where: short stacking energy: -650.541
Base-Backbone interact. energy: -1.842
local terms energy: -727.932392
where:
bonds (distance) C4'-P energy: -133.969
bonds (distance) P-C4' energy: -138.771
flat angles C4'-P-C4' energy: -152.794
flat angles P-C4'-P energy: -107.050
tors. eta vs tors. theta energy: -195.349
Dist. restrs. and SS energy: 21.873 (S_DIST_RNA)
chem. 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: -2213.107567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2213.107567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2228.904537 (E_RNA)
where:
Base-Base interactions energy: -1546.888
where: short stacking energy: -664.940
Base-Backbone interact. energy: 1.323
local terms energy: -683.338913
where:
bonds (distance) C4'-P energy: -125.522
bonds (distance) P-C4' energy: -121.749
flat angles C4'-P-C4' energy: -152.905
flat angles P-C4'-P energy: -90.188
tors. eta vs tors. theta energy: -192.975
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: 7, replica: 6
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -2053.365542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2053.365542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2068.945130 (E_RNA)
where:
Base-Base interactions energy: -1394.753
where: short stacking energy: -590.032
Base-Backbone interact. energy: -2.975
local terms energy: -671.216865
where:
bonds (distance) C4'-P energy: -122.682
bonds (distance) P-C4' energy: -126.743
flat angles C4'-P-C4' energy: -155.491
flat angles P-C4'-P energy: -90.440
tors. eta vs tors. theta energy: -175.860
Dist. restrs. and SS energy: 15.580 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -2047.756794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2047.756794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.747647 (E_RNA)
where:
Base-Base interactions energy: -1432.567
where: short stacking energy: -562.834
Base-Backbone interact. energy: -1.988
local terms energy: -637.192591
where:
bonds (distance) C4'-P energy: -133.060
bonds (distance) P-C4' energy: -131.806
flat angles C4'-P-C4' energy: -137.098
flat angles P-C4'-P energy: -80.360
tors. eta vs tors. theta energy: -154.868
Dist. restrs. and SS energy: 23.991 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -1931.870027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1931.870027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1963.783818 (E_RNA)
where:
Base-Base interactions energy: -1350.341
where: short stacking energy: -566.705
Base-Backbone interact. energy: 0.133
local terms energy: -613.576552
where:
bonds (distance) C4'-P energy: -114.646
bonds (distance) P-C4' energy: -126.650
flat angles C4'-P-C4' energy: -143.430
flat angles P-C4'-P energy: -78.277
tors. eta vs tors. theta energy: -150.574
Dist. restrs. and SS energy: 31.914 (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: 44
Temperature: 1.350000
Total energy: -1869.798396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1869.798396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1893.774859 (E_RNA)
where:
Base-Base interactions energy: -1317.443
where: short stacking energy: -562.598
Base-Backbone interact. energy: 1.576
local terms energy: -577.907748
where:
bonds (distance) C4'-P energy: -98.199
bonds (distance) P-C4' energy: -117.949
flat angles C4'-P-C4' energy: -129.821
flat angles P-C4'-P energy: -78.001
tors. eta vs tors. theta energy: -153.938
Dist. restrs. and SS energy: 23.976 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -2572.464763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2572.464763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2581.046221 (E_RNA)
where:
Base-Base interactions energy: -1767.112
where: short stacking energy: -777.187
Base-Backbone interact. energy: -3.720
local terms energy: -810.214526
where:
bonds (distance) C4'-P energy: -150.191
bonds (distance) P-C4' energy: -154.346
flat angles C4'-P-C4' energy: -172.518
flat angles P-C4'-P energy: -107.154
tors. eta vs tors. theta energy: -226.004
Dist. restrs. and SS energy: 8.581 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -2569.747153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2569.747153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2579.492180 (E_RNA)
where:
Base-Base interactions energy: -1808.545
where: short stacking energy: -772.507
Base-Backbone interact. energy: -3.256
local terms energy: -767.691577
where:
bonds (distance) C4'-P energy: -144.216
bonds (distance) P-C4' energy: -133.321
flat angles C4'-P-C4' energy: -158.353
flat angles P-C4'-P energy: -103.966
tors. eta vs tors. theta energy: -227.836
Dist. restrs. and SS energy: 9.745 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -2478.688600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2478.688600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2492.170101 (E_RNA)
where:
Base-Base interactions energy: -1720.316
where: short stacking energy: -708.470
Base-Backbone interact. energy: -2.988
local terms energy: -768.865813
where:
bonds (distance) C4'-P energy: -136.205
bonds (distance) P-C4' energy: -151.299
flat angles C4'-P-C4' energy: -160.638
flat angles P-C4'-P energy: -108.852
tors. eta vs tors. theta energy: -211.872
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: 4, replica: 2
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -2411.356688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2411.356688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2420.025920 (E_RNA)
where:
Base-Base interactions energy: -1678.374
where: short stacking energy: -715.573
Base-Backbone interact. energy: -1.445
local terms energy: -740.206669
where:
bonds (distance) C4'-P energy: -143.453
bonds (distance) P-C4' energy: -142.331
flat angles C4'-P-C4' energy: -152.459
flat angles P-C4'-P energy: -89.054
tors. eta vs tors. theta energy: -212.909
Dist. restrs. and SS energy: 8.669 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -2337.568469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2337.568469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2348.483917 (E_RNA)
where:
Base-Base interactions energy: -1636.303
where: short stacking energy: -697.972
Base-Backbone interact. energy: -0.519
local terms energy: -711.661870
where:
bonds (distance) C4'-P energy: -135.194
bonds (distance) P-C4' energy: -124.746
flat angles C4'-P-C4' energy: -152.648
flat angles P-C4'-P energy: -96.826
tors. eta vs tors. theta energy: -202.247
Dist. restrs. and SS energy: 10.915 (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: 9
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -2230.627465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2230.627465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2238.651866 (E_RNA)
where:
Base-Base interactions energy: -1614.107
where: short stacking energy: -688.405
Base-Backbone interact. energy: -2.467
local terms energy: -622.077293
where:
bonds (distance) C4'-P energy: -100.781
bonds (distance) P-C4' energy: -116.035
flat angles C4'-P-C4' energy: -129.149
flat angles P-C4'-P energy: -74.717
tors. eta vs tors. theta energy: -201.395
Dist. restrs. and SS energy: 8.024 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -2061.129107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2061.129107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2079.306209 (E_RNA)
where:
Base-Base interactions energy: -1460.561
where: short stacking energy: -607.128
Base-Backbone interact. energy: -2.114
local terms energy: -616.631181
where:
bonds (distance) C4'-P energy: -133.981
bonds (distance) P-C4' energy: -122.173
flat angles C4'-P-C4' energy: -127.596
flat angles P-C4'-P energy: -75.920
tors. eta vs tors. theta energy: -156.961
Dist. restrs. and SS energy: 18.177 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -2042.962579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2042.962579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2057.431468 (E_RNA)
where:
Base-Base interactions energy: -1404.327
where: short stacking energy: -584.070
Base-Backbone interact. energy: -0.468
local terms energy: -652.636215
where:
bonds (distance) C4'-P energy: -121.775
bonds (distance) P-C4' energy: -123.345
flat angles C4'-P-C4' energy: -149.335
flat angles P-C4'-P energy: -82.575
tors. eta vs tors. theta energy: -175.605
Dist. restrs. and SS energy: 14.469 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -1938.421644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1938.421644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1963.614509 (E_RNA)
where:
Base-Base interactions energy: -1404.035
where: short stacking energy: -569.045
Base-Backbone interact. energy: 3.230
local terms energy: -562.809565
where:
bonds (distance) C4'-P energy: -101.259
bonds (distance) P-C4' energy: -104.899
flat angles C4'-P-C4' energy: -136.271
flat angles P-C4'-P energy: -79.191
tors. eta vs tors. theta energy: -141.189
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: 10, replica: 3
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -1906.946603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.946603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.924442 (E_RNA)
where:
Base-Base interactions energy: -1341.531
where: short stacking energy: -549.127
Base-Backbone interact. energy: -0.341
local terms energy: -592.052515
where:
bonds (distance) C4'-P energy: -101.359
bonds (distance) P-C4' energy: -133.717
flat angles C4'-P-C4' energy: -131.095
flat angles P-C4'-P energy: -75.380
tors. eta vs tors. theta energy: -150.501
Dist. restrs. and SS energy: 26.978 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -2574.905297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2574.905297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2583.735253 (E_RNA)
where:
Base-Base interactions energy: -1809.979
where: short stacking energy: -774.353
Base-Backbone interact. energy: -3.964
local terms energy: -769.791546
where:
bonds (distance) C4'-P energy: -131.328
bonds (distance) P-C4' energy: -138.597
flat angles C4'-P-C4' energy: -162.420
flat angles P-C4'-P energy: -117.080
tors. eta vs tors. theta energy: -220.365
Dist. restrs. and SS energy: 8.830 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -2551.378324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2551.378324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2557.899354 (E_RNA)
where:
Base-Base interactions energy: -1781.877
where: short stacking energy: -751.454
Base-Backbone interact. energy: 0.112
local terms energy: -776.134109
where:
bonds (distance) C4'-P energy: -147.564
bonds (distance) P-C4' energy: -139.523
flat angles C4'-P-C4' energy: -157.554
flat angles P-C4'-P energy: -110.147
tors. eta vs tors. theta energy: -221.346
Dist. restrs. and SS energy: 6.521 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -2482.747402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2482.747402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2496.262251 (E_RNA)
where:
Base-Base interactions energy: -1747.242
where: short stacking energy: -750.440
Base-Backbone interact. energy: 1.328
local terms energy: -750.348198
where:
bonds (distance) C4'-P energy: -124.848
bonds (distance) P-C4' energy: -134.271
flat angles C4'-P-C4' energy: -173.350
flat angles P-C4'-P energy: -95.988
tors. eta vs tors. theta energy: -221.890
Dist. restrs. and SS energy: 13.515 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -2400.230368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2400.230368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2414.943324 (E_RNA)
where:
Base-Base interactions energy: -1709.682
where: short stacking energy: -731.186
Base-Backbone interact. energy: 4.938
local terms energy: -710.198553
where:
bonds (distance) C4'-P energy: -114.087
bonds (distance) P-C4' energy: -123.428
flat angles C4'-P-C4' energy: -154.074
flat angles P-C4'-P energy: -103.503
tors. eta vs tors. theta energy: -215.107
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: 5, replica: 7
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -2294.960648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2294.960648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2307.191397 (E_RNA)
where:
Base-Base interactions energy: -1583.649
where: short stacking energy: -688.002
Base-Backbone interact. energy: -4.063
local terms energy: -719.479354
where:
bonds (distance) C4'-P energy: -113.867
bonds (distance) P-C4' energy: -152.213
flat angles C4'-P-C4' energy: -158.365
flat angles P-C4'-P energy: -79.459
tors. eta vs tors. theta energy: -215.576
Dist. restrs. and SS energy: 12.231 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -2225.964816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2225.964816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2243.833564 (E_RNA)
where:
Base-Base interactions energy: -1561.370
where: short stacking energy: -656.656
Base-Backbone interact. energy: 0.262
local terms energy: -682.725757
where:
bonds (distance) C4'-P energy: -126.485
bonds (distance) P-C4' energy: -130.512
flat angles C4'-P-C4' energy: -149.170
flat angles P-C4'-P energy: -89.848
tors. eta vs tors. theta energy: -186.710
Dist. restrs. and SS energy: 17.869 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -2085.737707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2085.737707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2107.981906 (E_RNA)
where:
Base-Base interactions energy: -1457.030
where: short stacking energy: -595.705
Base-Backbone interact. energy: -1.899
local terms energy: -649.052746
where:
bonds (distance) C4'-P energy: -137.728
bonds (distance) P-C4' energy: -108.570
flat angles C4'-P-C4' energy: -145.517
flat angles P-C4'-P energy: -97.589
tors. eta vs tors. theta energy: -159.649
Dist. restrs. and SS energy: 22.244 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -2012.880626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2012.880626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2030.599681 (E_RNA)
where:
Base-Base interactions energy: -1400.643
where: short stacking energy: -579.879
Base-Backbone interact. energy: 0.426
local terms energy: -630.382859
where:
bonds (distance) C4'-P energy: -122.496
bonds (distance) P-C4' energy: -119.704
flat angles C4'-P-C4' energy: -144.508
flat angles P-C4'-P energy: -88.478
tors. eta vs tors. theta energy: -155.197
Dist. restrs. and SS energy: 17.719 (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: 1
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -1969.895049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1969.895049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1994.998853 (E_RNA)
where:
Base-Base interactions energy: -1399.348
where: short stacking energy: -591.985
Base-Backbone interact. energy: -1.232
local terms energy: -594.418836
where:
bonds (distance) C4'-P energy: -129.788
bonds (distance) P-C4' energy: -129.322
flat angles C4'-P-C4' energy: -123.720
flat angles P-C4'-P energy: -55.746
tors. eta vs tors. theta energy: -155.842
Dist. restrs. and SS energy: 25.104 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -1880.694665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.694665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1895.625007 (E_RNA)
where:
Base-Base interactions energy: -1330.628
where: short stacking energy: -532.730
Base-Backbone interact. energy: -1.209
local terms energy: -563.788479
where:
bonds (distance) C4'-P energy: -107.583
bonds (distance) P-C4' energy: -109.160
flat angles C4'-P-C4' energy: -130.442
flat angles P-C4'-P energy: -74.238
tors. eta vs tors. theta energy: -142.365
Dist. restrs. and SS energy: 14.930 (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: 5
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -2557.075996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2557.075996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2561.931141 (E_RNA)
where:
Base-Base interactions energy: -1773.935
where: short stacking energy: -759.721
Base-Backbone interact. energy: -1.112
local terms energy: -786.883900
where:
bonds (distance) C4'-P energy: -144.231
bonds (distance) P-C4' energy: -164.906
flat angles C4'-P-C4' energy: -153.805
flat angles P-C4'-P energy: -117.618
tors. eta vs tors. theta energy: -206.324
Dist. restrs. and SS energy: 4.855 (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: 10
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -2556.227435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2556.227435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2564.822838 (E_RNA)
where:
Base-Base interactions energy: -1784.351
where: short stacking energy: -722.481
Base-Backbone interact. energy: -6.155
local terms energy: -774.315983
where:
bonds (distance) C4'-P energy: -138.791
bonds (distance) P-C4' energy: -131.602
flat angles C4'-P-C4' energy: -173.834
flat angles P-C4'-P energy: -115.118
tors. eta vs tors. theta energy: -214.971
Dist. restrs. and SS energy: 8.595 (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: 8
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -2492.128514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2492.128514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2498.466424 (E_RNA)
where:
Base-Base interactions energy: -1762.670
where: short stacking energy: -749.712
Base-Backbone interact. energy: -5.020
local terms energy: -730.776448
where:
bonds (distance) C4'-P energy: -126.355
bonds (distance) P-C4' energy: -113.659
flat angles C4'-P-C4' energy: -163.492
flat angles P-C4'-P energy: -99.661
tors. eta vs tors. theta energy: -227.609
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: 4, replica: 2
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -2418.029779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2418.029779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2425.344227 (E_RNA)
where:
Base-Base interactions energy: -1727.882
where: short stacking energy: -732.791
Base-Backbone interact. energy: -2.389
local terms energy: -695.073206
where:
bonds (distance) C4'-P energy: -116.263
bonds (distance) P-C4' energy: -133.913
flat angles C4'-P-C4' energy: -147.464
flat angles P-C4'-P energy: -86.496
tors. eta vs tors. theta energy: -210.937
Dist. restrs. and SS energy: 7.314 (S_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: 47
Temperature: 1.100000
Total energy: -2313.761213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2313.761213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2332.742034 (E_RNA)
where:
Base-Base interactions energy: -1632.587
where: short stacking energy: -702.762
Base-Backbone interact. energy: -0.336
local terms energy: -699.819044
where:
bonds (distance) C4'-P energy: -114.625
bonds (distance) P-C4' energy: -137.762
flat angles C4'-P-C4' energy: -136.794
flat angles P-C4'-P energy: -95.346
tors. eta vs tors. theta energy: -215.293
Dist. restrs. and SS energy: 18.981 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -2231.015457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2231.015457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2246.629624 (E_RNA)
where:
Base-Base interactions energy: -1580.952
where: short stacking energy: -673.953
Base-Backbone interact. energy: 0.439
local terms energy: -666.116761
where:
bonds (distance) C4'-P energy: -123.001
bonds (distance) P-C4' energy: -118.957
flat angles C4'-P-C4' energy: -141.737
flat angles P-C4'-P energy: -87.404
tors. eta vs tors. theta energy: -195.018
Dist. restrs. and SS energy: 15.614 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -2051.930059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2051.930059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2066.349527 (E_RNA)
where:
Base-Base interactions energy: -1444.019
where: short stacking energy: -557.676
Base-Backbone interact. energy: 0.137
local terms energy: -622.466945
where:
bonds (distance) C4'-P energy: -110.144
bonds (distance) P-C4' energy: -120.853
flat angles C4'-P-C4' energy: -142.202
flat angles P-C4'-P energy: -87.572
tors. eta vs tors. theta energy: -161.695
Dist. restrs. and SS energy: 14.419 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -1989.912910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1989.912910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2014.385350 (E_RNA)
where:
Base-Base interactions energy: -1436.478
where: short stacking energy: -608.004
Base-Backbone interact. energy: -1.995
local terms energy: -575.911511
where:
bonds (distance) C4'-P energy: -85.777
bonds (distance) P-C4' energy: -106.824
flat angles C4'-P-C4' energy: -144.639
flat angles P-C4'-P energy: -80.200
tors. eta vs tors. theta energy: -158.471
Dist. restrs. and SS energy: 24.472 (S_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: 47
Temperature: 1.300000
Total energy: -1944.099456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1944.099456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1961.761089 (E_RNA)
where:
Base-Base interactions energy: -1356.899
where: short stacking energy: -567.450
Base-Backbone interact. energy: -2.186
local terms energy: -602.675910
where:
bonds (distance) C4'-P energy: -123.801
bonds (distance) P-C4' energy: -122.195
flat angles C4'-P-C4' energy: -115.648
flat angles P-C4'-P energy: -74.913
tors. eta vs tors. theta energy: -166.118
Dist. restrs. and SS energy: 17.662 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -1900.660998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1900.660998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1926.393610 (E_RNA)
where:
Base-Base interactions energy: -1316.522
where: short stacking energy: -571.186
Base-Backbone interact. energy: -3.625
local terms energy: -606.247121
where:
bonds (distance) C4'-P energy: -111.296
bonds (distance) P-C4' energy: -112.304
flat angles C4'-P-C4' energy: -138.673
flat angles P-C4'-P energy: -74.111
tors. eta vs tors. theta energy: -169.862
Dist. restrs. and SS energy: 25.733 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -2603.329119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2603.329119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2612.582750 (E_RNA)
where:
Base-Base interactions energy: -1822.254
where: short stacking energy: -748.659
Base-Backbone interact. energy: -1.515
local terms energy: -788.813212
where:
bonds (distance) C4'-P energy: -131.310
bonds (distance) P-C4' energy: -139.530
flat angles C4'-P-C4' energy: -173.302
flat angles P-C4'-P energy: -124.335
tors. eta vs tors. theta energy: -220.337
Dist. restrs. and SS energy: 9.254 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -2530.003545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2530.003545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2534.873420 (E_RNA)
where:
Base-Base interactions energy: -1769.637
where: short stacking energy: -742.095
Base-Backbone interact. energy: -2.803
local terms energy: -762.433540
where:
bonds (distance) C4'-P energy: -141.858
bonds (distance) P-C4' energy: -148.868
flat angles C4'-P-C4' energy: -166.794
flat angles P-C4'-P energy: -90.850
tors. eta vs tors. theta energy: -214.063
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: 8
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -2483.567897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2483.567897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2494.921930 (E_RNA)
where:
Base-Base interactions energy: -1729.174
where: short stacking energy: -739.208
Base-Backbone interact. energy: -3.228
local terms energy: -762.519591
where:
bonds (distance) C4'-P energy: -135.104
bonds (distance) P-C4' energy: -151.980
flat angles C4'-P-C4' energy: -150.146
flat angles P-C4'-P energy: -99.310
tors. eta vs tors. theta energy: -225.979
Dist. restrs. and SS energy: 11.354 (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: 2
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -2412.464422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2412.464422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2418.849149 (E_RNA)
where:
Base-Base interactions energy: -1689.783
where: short stacking energy: -715.474
Base-Backbone interact. energy: -3.888
local terms energy: -725.178387
where:
bonds (distance) C4'-P energy: -128.501
bonds (distance) P-C4' energy: -118.788
flat angles C4'-P-C4' energy: -151.147
flat angles P-C4'-P energy: -112.666
tors. eta vs tors. theta energy: -214.077
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: 7
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -2337.871966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2337.871966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2350.077372 (E_RNA)
where:
Base-Base interactions energy: -1647.233
where: short stacking energy: -701.170
Base-Backbone interact. energy: -1.514
local terms energy: -701.330176
where:
bonds (distance) C4'-P energy: -132.170
bonds (distance) P-C4' energy: -118.283
flat angles C4'-P-C4' energy: -151.377
flat angles P-C4'-P energy: -97.036
tors. eta vs tors. theta energy: -202.464
Dist. restrs. and SS energy: 12.205 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -2243.172165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2243.172165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2251.510317 (E_RNA)
where:
Base-Base interactions energy: -1589.198
where: short stacking energy: -664.957
Base-Backbone interact. energy: -0.567
local terms energy: -661.744509
where:
bonds (distance) C4'-P energy: -109.369
bonds (distance) P-C4' energy: -112.123
flat angles C4'-P-C4' energy: -152.634
flat angles P-C4'-P energy: -82.468
tors. eta vs tors. theta energy: -205.151
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: 7, replica: 6
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -2068.274638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2068.274638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2089.348345 (E_RNA)
where:
Base-Base interactions energy: -1435.010
where: short stacking energy: -589.906
Base-Backbone interact. energy: -3.826
local terms energy: -650.512178
where:
bonds (distance) C4'-P energy: -127.088
bonds (distance) P-C4' energy: -119.002
flat angles C4'-P-C4' energy: -147.429
flat angles P-C4'-P energy: -87.866
tors. eta vs tors. theta energy: -169.127
Dist. restrs. and SS energy: 21.074 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -1993.153831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1993.153831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2013.388865 (E_RNA)
where:
Base-Base interactions energy: -1421.091
where: short stacking energy: -598.682
Base-Backbone interact. energy: -0.967
local terms energy: -591.331383
where:
bonds (distance) C4'-P energy: -95.584
bonds (distance) P-C4' energy: -123.368
flat angles C4'-P-C4' energy: -134.580
flat angles P-C4'-P energy: -76.608
tors. eta vs tors. theta energy: -161.192
Dist. restrs. and SS energy: 20.235 (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: 1
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -1963.537622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1963.537622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1985.682676 (E_RNA)
where:
Base-Base interactions energy: -1372.088
where: short stacking energy: -591.249
Base-Backbone interact. energy: 3.169
local terms energy: -616.763541
where:
bonds (distance) C4'-P energy: -122.408
bonds (distance) P-C4' energy: -97.614
flat angles C4'-P-C4' energy: -130.838
flat angles P-C4'-P energy: -88.617
tors. eta vs tors. theta energy: -177.287
Dist. restrs. and SS energy: 22.145 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -1897.698009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.698009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1918.322313 (E_RNA)
where:
Base-Base interactions energy: -1362.954
where: short stacking energy: -554.179
Base-Backbone interact. energy: -1.732
local terms energy: -553.636878
where:
bonds (distance) C4'-P energy: -98.620
bonds (distance) P-C4' energy: -88.455
flat angles C4'-P-C4' energy: -127.885
flat angles P-C4'-P energy: -92.656
tors. eta vs tors. theta energy: -146.020
Dist. restrs. and SS energy: 20.624 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -2613.076210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2613.076210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2621.494544 (E_RNA)
where:
Base-Base interactions energy: -1819.819
where: short stacking energy: -756.947
Base-Backbone interact. energy: -2.635
local terms energy: -799.040973
where:
bonds (distance) C4'-P energy: -135.494
bonds (distance) P-C4' energy: -154.590
flat angles C4'-P-C4' energy: -175.307
flat angles P-C4'-P energy: -110.343
tors. eta vs tors. theta energy: -223.307
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: 2, replica: 8
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -2539.507784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2539.507784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2547.278347 (E_RNA)
where:
Base-Base interactions energy: -1773.908
where: short stacking energy: -741.698
Base-Backbone interact. energy: -3.155
local terms energy: -770.215695
where:
bonds (distance) C4'-P energy: -142.312
bonds (distance) P-C4' energy: -134.246
flat angles C4'-P-C4' energy: -164.847
flat angles P-C4'-P energy: -113.719
tors. eta vs tors. theta energy: -215.091
Dist. restrs. and SS energy: 7.771 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -2468.307415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2468.307415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2477.990495 (E_RNA)
where:
Base-Base interactions energy: -1723.556
where: short stacking energy: -755.026
Base-Backbone interact. energy: -6.151
local terms energy: -748.284116
where:
bonds (distance) C4'-P energy: -130.713
bonds (distance) P-C4' energy: -134.424
flat angles C4'-P-C4' energy: -175.256
flat angles P-C4'-P energy: -97.737
tors. eta vs tors. theta energy: -210.154
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: 4, replica: 2
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -2444.937711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2444.937711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2451.152613 (E_RNA)
where:
Base-Base interactions energy: -1705.446
where: short stacking energy: -715.063
Base-Backbone interact. energy: -3.758
local terms energy: -741.948349
where:
bonds (distance) C4'-P energy: -128.712
bonds (distance) P-C4' energy: -135.885
flat angles C4'-P-C4' energy: -167.323
flat angles P-C4'-P energy: -99.426
tors. eta vs tors. theta energy: -210.602
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: 5, replica: 7
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -2315.456989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2315.456989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2327.907333 (E_RNA)
where:
Base-Base interactions energy: -1623.541
where: short stacking energy: -684.908
Base-Backbone interact. energy: 0.778
local terms energy: -705.144128
where:
bonds (distance) C4'-P energy: -117.423
bonds (distance) P-C4' energy: -126.949
flat angles C4'-P-C4' energy: -151.495
flat angles P-C4'-P energy: -96.586
tors. eta vs tors. theta energy: -212.691
Dist. restrs. and SS energy: 12.450 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -2228.171189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2228.171189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2234.152216 (E_RNA)
where:
Base-Base interactions energy: -1548.703
where: short stacking energy: -646.568
Base-Backbone interact. energy: 1.378
local terms energy: -686.827247
where:
bonds (distance) C4'-P energy: -132.447
bonds (distance) P-C4' energy: -127.689
flat angles C4'-P-C4' energy: -145.086
flat angles P-C4'-P energy: -96.112
tors. eta vs tors. theta energy: -185.492
Dist. restrs. and SS energy: 5.981 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -2081.770465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2081.770465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2108.853875 (E_RNA)
where:
Base-Base interactions energy: -1453.393
where: short stacking energy: -618.345
Base-Backbone interact. energy: 4.471
local terms energy: -659.931715
where:
bonds (distance) C4'-P energy: -131.891
bonds (distance) P-C4' energy: -126.637
flat angles C4'-P-C4' energy: -140.754
flat angles P-C4'-P energy: -90.344
tors. eta vs tors. theta energy: -170.306
Dist. restrs. and SS energy: 27.083 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -2011.203005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2011.203005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2030.791191 (E_RNA)
where:
Base-Base interactions energy: -1436.697
where: short stacking energy: -589.929
Base-Backbone interact. energy: -0.514
local terms energy: -593.580187
where:
bonds (distance) C4'-P energy: -121.075
bonds (distance) P-C4' energy: -94.776
flat angles C4'-P-C4' energy: -119.856
flat angles P-C4'-P energy: -88.992
tors. eta vs tors. theta energy: -168.881
Dist. restrs. and SS energy: 19.588 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -1965.490840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1965.490840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1988.603234 (E_RNA)
where:
Base-Base interactions energy: -1378.289
where: short stacking energy: -588.142
Base-Backbone interact. energy: 2.029
local terms energy: -612.343404
where:
bonds (distance) C4'-P energy: -107.082
bonds (distance) P-C4' energy: -109.830
flat angles C4'-P-C4' energy: -143.973
flat angles P-C4'-P energy: -83.923
tors. eta vs tors. theta energy: -167.536
Dist. restrs. and SS energy: 23.112 (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: 49
Temperature: 1.350000
Total energy: -1921.714099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1921.714099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.531520 (E_RNA)
where:
Base-Base interactions energy: -1369.552
where: short stacking energy: -557.706
Base-Backbone interact. energy: 2.244
local terms energy: -582.223832
where:
bonds (distance) C4'-P energy: -102.971
bonds (distance) P-C4' energy: -109.135
flat angles C4'-P-C4' energy: -117.554
flat angles P-C4'-P energy: -86.026
tors. eta vs tors. theta energy: -166.538
Dist. restrs. and SS energy: 27.817 (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: 10
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -2645.180102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2645.180102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2655.281393 (E_RNA)
where:
Base-Base interactions energy: -1823.888
where: short stacking energy: -769.712
Base-Backbone interact. energy: -1.380
local terms energy: -830.012981
where:
bonds (distance) C4'-P energy: -164.791
bonds (distance) P-C4' energy: -139.766
flat angles C4'-P-C4' energy: -172.680
flat angles P-C4'-P energy: -115.196
tors. eta vs tors. theta energy: -237.580
Dist. restrs. and SS energy: 10.101 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -2561.788668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2561.788668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2570.227416 (E_RNA)
where:
Base-Base interactions energy: -1788.193
where: short stacking energy: -759.884
Base-Backbone interact. energy: -3.217
local terms energy: -778.816917
where:
bonds (distance) C4'-P energy: -133.796
bonds (distance) P-C4' energy: -154.507
flat angles C4'-P-C4' energy: -171.484
flat angles P-C4'-P energy: -95.392
tors. eta vs tors. theta energy: -223.637
Dist. restrs. and SS energy: 8.439 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -2459.037066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2459.037066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2467.162804 (E_RNA)
where:
Base-Base interactions energy: -1709.288
where: short stacking energy: -729.896
Base-Backbone interact. energy: -2.281
local terms energy: -755.594016
where:
bonds (distance) C4'-P energy: -120.033
bonds (distance) P-C4' energy: -142.483
flat angles C4'-P-C4' energy: -156.935
flat angles P-C4'-P energy: -120.329
tors. eta vs tors. theta energy: -215.814
Dist. restrs. and SS energy: 8.126 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -2368.576568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2368.576568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2374.984488 (E_RNA)
where:
Base-Base interactions energy: -1665.776
where: short stacking energy: -728.701
Base-Backbone interact. energy: -3.679
local terms energy: -705.529441
where:
bonds (distance) C4'-P energy: -141.200
bonds (distance) P-C4' energy: -113.370
flat angles C4'-P-C4' energy: -151.614
flat angles P-C4'-P energy: -93.142
tors. eta vs tors. theta energy: -206.203
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: 5, replica: 7
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -2322.164054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2322.164054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2340.457619 (E_RNA)
where:
Base-Base interactions energy: -1652.681
where: short stacking energy: -699.440
Base-Backbone interact. energy: -5.600
local terms energy: -682.176950
where:
bonds (distance) C4'-P energy: -125.240
bonds (distance) P-C4' energy: -114.592
flat angles C4'-P-C4' energy: -143.203
flat angles P-C4'-P energy: -97.018
tors. eta vs tors. theta energy: -202.124
Dist. restrs. and SS energy: 18.294 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -2257.053683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2257.053683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2262.107445 (E_RNA)
where:
Base-Base interactions energy: -1560.209
where: short stacking energy: -640.361
Base-Backbone interact. energy: -1.294
local terms energy: -700.604212
where:
bonds (distance) C4'-P energy: -129.442
bonds (distance) P-C4' energy: -124.056
flat angles C4'-P-C4' energy: -143.848
flat angles P-C4'-P energy: -113.698
tors. eta vs tors. theta energy: -189.560
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: 7, replica: 6
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -2091.344423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2091.344423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2109.628550 (E_RNA)
where:
Base-Base interactions energy: -1486.543
where: short stacking energy: -619.593
Base-Backbone interact. energy: -0.943
local terms energy: -622.142703
where:
bonds (distance) C4'-P energy: -117.169
bonds (distance) P-C4' energy: -121.818
flat angles C4'-P-C4' energy: -138.064
flat angles P-C4'-P energy: -78.106
tors. eta vs tors. theta energy: -166.985
Dist. restrs. and SS energy: 18.284 (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: 50
Temperature: 1.250000
Total energy: -2029.293528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2029.293528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2046.623926 (E_RNA)
where:
Base-Base interactions energy: -1407.282
where: short stacking energy: -604.186
Base-Backbone interact. energy: -1.055
local terms energy: -638.287332
where:
bonds (distance) C4'-P energy: -131.829
bonds (distance) P-C4' energy: -105.659
flat angles C4'-P-C4' energy: -134.720
flat angles P-C4'-P energy: -90.289
tors. eta vs tors. theta energy: -175.791
Dist. restrs. and SS energy: 17.330 (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: 1
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -1916.469260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.469260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.389365 (E_RNA)
where:
Base-Base interactions energy: -1374.058
where: short stacking energy: -567.222
Base-Backbone interact. energy: -3.124
local terms energy: -564.207750
where:
bonds (distance) C4'-P energy: -99.313
bonds (distance) P-C4' energy: -111.439
flat angles C4'-P-C4' energy: -129.610
flat angles P-C4'-P energy: -81.447
tors. eta vs tors. theta energy: -142.398
Dist. restrs. and SS energy: 24.920 (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: 3
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -1885.979035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1885.979035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.605883 (E_RNA)
where:
Base-Base interactions energy: -1347.257
where: short stacking energy: -560.258
Base-Backbone interact. energy: 1.023
local terms energy: -570.372591
where:
bonds (distance) C4'-P energy: -101.978
bonds (distance) P-C4' energy: -117.988
flat angles C4'-P-C4' energy: -129.996
flat angles P-C4'-P energy: -60.530
tors. eta vs tors. theta energy: -159.881
Dist. restrs. and SS energy: 30.627 (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: 10
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -2662.766526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2662.766526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2672.050908 (E_RNA)
where:
Base-Base interactions energy: -1845.403
where: short stacking energy: -789.482
Base-Backbone interact. energy: -3.882
local terms energy: -822.766179
where:
bonds (distance) C4'-P energy: -140.694
bonds (distance) P-C4' energy: -147.491
flat angles C4'-P-C4' energy: -166.396
flat angles P-C4'-P energy: -120.357
tors. eta vs tors. theta energy: -247.828
Dist. restrs. and SS energy: 9.284 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -2557.689763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2557.689763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2571.329822 (E_RNA)
where:
Base-Base interactions energy: -1791.859
where: short stacking energy: -759.452
Base-Backbone interact. energy: -3.722
local terms energy: -775.749304
where:
bonds (distance) C4'-P energy: -130.742
bonds (distance) P-C4' energy: -149.488
flat angles C4'-P-C4' energy: -148.972
flat angles P-C4'-P energy: -117.310
tors. eta vs tors. theta energy: -229.238
Dist. restrs. and SS energy: 13.640 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -2477.257563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2477.257563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2484.353489 (E_RNA)
where:
Base-Base interactions energy: -1738.056
where: short stacking energy: -733.867
Base-Backbone interact. energy: -4.543
local terms energy: -741.754443
where:
bonds (distance) C4'-P energy: -131.710
bonds (distance) P-C4' energy: -150.452
flat angles C4'-P-C4' energy: -145.618
flat angles P-C4'-P energy: -91.564
tors. eta vs tors. theta energy: -222.410
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: 4, replica: 2
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -2434.316299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2434.316299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2446.027258 (E_RNA)
where:
Base-Base interactions energy: -1684.164
where: short stacking energy: -724.356
Base-Backbone interact. energy: -1.567
local terms energy: -760.296404
where:
bonds (distance) C4'-P energy: -115.057
bonds (distance) P-C4' energy: -158.726
flat angles C4'-P-C4' energy: -156.545
flat angles P-C4'-P energy: -112.112
tors. eta vs tors. theta energy: -217.857
Dist. restrs. and SS energy: 11.711 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -2389.005005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2389.005005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2407.620587 (E_RNA)
where:
Base-Base interactions energy: -1644.417
where: short stacking energy: -697.230
Base-Backbone interact. energy: -2.481
local terms energy: -760.723241
where:
bonds (distance) C4'-P energy: -157.848
bonds (distance) P-C4' energy: -135.466
flat angles C4'-P-C4' energy: -152.680
flat angles P-C4'-P energy: -106.199
tors. eta vs tors. theta energy: -208.530
Dist. restrs. and SS energy: 18.616 (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: 9
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -2241.383997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2241.383997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2250.951414 (E_RNA)
where:
Base-Base interactions energy: -1590.891
where: short stacking energy: -680.033
Base-Backbone interact. energy: -3.123
local terms energy: -656.937716
where:
bonds (distance) C4'-P energy: -124.129
bonds (distance) P-C4' energy: -100.364
flat angles C4'-P-C4' energy: -131.913
flat angles P-C4'-P energy: -89.210
tors. eta vs tors. theta energy: -211.323
Dist. restrs. and SS energy: 9.567 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -2120.525273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2120.525273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2139.658929 (E_RNA)
where:
Base-Base interactions energy: -1504.459
where: short stacking energy: -611.507
Base-Backbone interact. energy: -2.211
local terms energy: -632.988888
where:
bonds (distance) C4'-P energy: -120.811
bonds (distance) P-C4' energy: -99.666
flat angles C4'-P-C4' energy: -154.301
flat angles P-C4'-P energy: -89.214
tors. eta vs tors. theta energy: -168.996
Dist. restrs. and SS energy: 19.134 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -2058.390687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2058.390687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2084.469171 (E_RNA)
where:
Base-Base interactions energy: -1419.699
where: short stacking energy: -605.229
Base-Backbone interact. energy: -4.268
local terms energy: -660.502394
where:
bonds (distance) C4'-P energy: -119.360
bonds (distance) P-C4' energy: -121.256
flat angles C4'-P-C4' energy: -138.484
flat angles P-C4'-P energy: -97.137
tors. eta vs tors. theta energy: -184.265
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: 9, replica: 1
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -1904.848467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1904.848467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.561146 (E_RNA)
where:
Base-Base interactions energy: -1325.932
where: short stacking energy: -513.302
Base-Backbone interact. energy: -2.664
local terms energy: -595.965511
where:
bonds (distance) C4'-P energy: -111.438
bonds (distance) P-C4' energy: -132.911
flat angles C4'-P-C4' energy: -120.694
flat angles P-C4'-P energy: -75.372
tors. eta vs tors. theta energy: -155.551
Dist. restrs. and SS energy: 19.713 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -1881.903805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.903805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1915.588248 (E_RNA)
where:
Base-Base interactions energy: -1345.143
where: short stacking energy: -579.840
Base-Backbone interact. energy: -1.695
local terms energy: -568.751037
where:
bonds (distance) C4'-P energy: -109.333
bonds (distance) P-C4' energy: -77.931
flat angles C4'-P-C4' energy: -133.516
flat angles P-C4'-P energy: -85.090
tors. eta vs tors. theta energy: -162.881
Dist. restrs. and SS energy: 33.684 (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: 10
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -2648.167199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2648.167199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2652.856916 (E_RNA)
where:
Base-Base interactions energy: -1873.725
where: short stacking energy: -781.358
Base-Backbone interact. energy: -6.799
local terms energy: -772.332812
where:
bonds (distance) C4'-P energy: -147.320
bonds (distance) P-C4' energy: -127.453
flat angles C4'-P-C4' energy: -156.922
flat angles P-C4'-P energy: -113.096
tors. eta vs tors. theta energy: -227.542
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: 2, replica: 8
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -2582.412114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2582.412114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2591.620368 (E_RNA)
where:
Base-Base interactions energy: -1801.997
where: short stacking energy: -762.708
Base-Backbone interact. energy: -3.390
local terms energy: -786.233527
where:
bonds (distance) C4'-P energy: -157.683
bonds (distance) P-C4' energy: -143.041
flat angles C4'-P-C4' energy: -150.257
flat angles P-C4'-P energy: -105.634
tors. eta vs tors. theta energy: -229.620
Dist. restrs. and SS energy: 9.208 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -2455.185545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2455.185545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2464.724848 (E_RNA)
where:
Base-Base interactions energy: -1696.459
where: short stacking energy: -732.057
Base-Backbone interact. energy: -2.791
local terms energy: -765.474543
where:
bonds (distance) C4'-P energy: -118.426
bonds (distance) P-C4' energy: -131.875
flat angles C4'-P-C4' energy: -174.010
flat angles P-C4'-P energy: -121.048
tors. eta vs tors. theta energy: -220.115
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: 4, replica: 2
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -2410.936611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2410.936611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2419.424588 (E_RNA)
where:
Base-Base interactions energy: -1673.795
where: short stacking energy: -681.568
Base-Backbone interact. energy: -1.657
local terms energy: -743.972673
where:
bonds (distance) C4'-P energy: -154.402
bonds (distance) P-C4' energy: -127.195
flat angles C4'-P-C4' energy: -136.555
flat angles P-C4'-P energy: -112.984
tors. eta vs tors. theta energy: -212.837
Dist. restrs. and SS energy: 8.488 (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: 7
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -2316.654734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2316.654734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2331.116570 (E_RNA)
where:
Base-Base interactions energy: -1619.156
where: short stacking energy: -699.346
Base-Backbone interact. energy: -1.247
local terms energy: -710.714388
where:
bonds (distance) C4'-P energy: -147.320
bonds (distance) P-C4' energy: -123.233
flat angles C4'-P-C4' energy: -152.624
flat angles P-C4'-P energy: -86.161
tors. eta vs tors. theta energy: -201.377
Dist. restrs. and SS energy: 14.462 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -2280.047233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2280.047233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2290.052212 (E_RNA)
where:
Base-Base interactions energy: -1593.059
where: short stacking energy: -700.286
Base-Backbone interact. energy: 4.951
local terms energy: -701.944144
where:
bonds (distance) C4'-P energy: -119.477
bonds (distance) P-C4' energy: -144.491
flat angles C4'-P-C4' energy: -142.951
flat angles P-C4'-P energy: -89.736
tors. eta vs tors. theta energy: -205.290
Dist. restrs. and SS energy: 10.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -2131.564944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2131.564944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2156.292877 (E_RNA)
where:
Base-Base interactions energy: -1508.418
where: short stacking energy: -646.424
Base-Backbone interact. energy: -0.236
local terms energy: -647.638104
where:
bonds (distance) C4'-P energy: -120.213
bonds (distance) P-C4' energy: -125.154
flat angles C4'-P-C4' energy: -143.748
flat angles P-C4'-P energy: -86.120
tors. eta vs tors. theta energy: -172.403
Dist. restrs. and SS energy: 24.728 (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: 4
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -2059.099736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2059.099736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2076.982192 (E_RNA)
where:
Base-Base interactions energy: -1431.499
where: short stacking energy: -604.173
Base-Backbone interact. energy: 1.043
local terms energy: -646.526798
where:
bonds (distance) C4'-P energy: -116.743
bonds (distance) P-C4' energy: -130.144
flat angles C4'-P-C4' energy: -144.225
flat angles P-C4'-P energy: -77.238
tors. eta vs tors. theta energy: -178.177
Dist. restrs. and SS energy: 17.882 (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: 3
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -1931.654904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1931.654904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.362803 (E_RNA)
where:
Base-Base interactions energy: -1357.045
where: short stacking energy: -569.852
Base-Backbone interact. energy: -3.286
local terms energy: -592.031808
where:
bonds (distance) C4'-P energy: -115.788
bonds (distance) P-C4' energy: -121.022
flat angles C4'-P-C4' energy: -143.408
flat angles P-C4'-P energy: -64.855
tors. eta vs tors. theta energy: -146.960
Dist. restrs. and SS energy: 20.708 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -1915.601783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1915.601783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.463477 (E_RNA)
where:
Base-Base interactions energy: -1355.126
where: short stacking energy: -557.946
Base-Backbone interact. energy: -2.264
local terms energy: -582.074101
where:
bonds (distance) C4'-P energy: -99.014
bonds (distance) P-C4' energy: -113.817
flat angles C4'-P-C4' energy: -136.707
flat angles P-C4'-P energy: -78.749
tors. eta vs tors. theta energy: -153.788
Dist. restrs. and SS energy: 23.862 (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: 10
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -2662.930669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2662.930669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2671.329492 (E_RNA)
where:
Base-Base interactions energy: -1844.048
where: short stacking energy: -785.657
Base-Backbone interact. energy: -1.991
local terms energy: -825.290735
where:
bonds (distance) C4'-P energy: -150.028
bonds (distance) P-C4' energy: -156.248
flat angles C4'-P-C4' energy: -163.051
flat angles P-C4'-P energy: -118.511
tors. eta vs tors. theta energy: -237.453
Dist. restrs. and SS energy: 8.399 (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: 8
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -2575.861757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2575.861757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2588.050204 (E_RNA)
where:
Base-Base interactions energy: -1778.328
where: short stacking energy: -757.505
Base-Backbone interact. energy: -3.331
local terms energy: -806.391660
where:
bonds (distance) C4'-P energy: -143.048
bonds (distance) P-C4' energy: -143.845
flat angles C4'-P-C4' energy: -162.457
flat angles P-C4'-P energy: -122.402
tors. eta vs tors. theta energy: -234.640
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: 3, replica: 5
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -2420.710177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2420.710177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2429.510172 (E_RNA)
where:
Base-Base interactions energy: -1685.778
where: short stacking energy: -692.149
Base-Backbone interact. energy: 0.609
local terms energy: -744.341332
where:
bonds (distance) C4'-P energy: -138.275
bonds (distance) P-C4' energy: -142.076
flat angles C4'-P-C4' energy: -150.480
flat angles P-C4'-P energy: -103.261
tors. eta vs tors. theta energy: -210.249
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: 4, replica: 2
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -2433.899758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2433.899758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2442.871901 (E_RNA)
where:
Base-Base interactions energy: -1695.885
where: short stacking energy: -720.865
Base-Backbone interact. energy: -2.436
local terms energy: -744.550772
where:
bonds (distance) C4'-P energy: -120.529
bonds (distance) P-C4' energy: -150.353
flat angles C4'-P-C4' energy: -159.649
flat angles P-C4'-P energy: -102.636
tors. eta vs tors. theta energy: -211.384
Dist. restrs. and SS energy: 8.972 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -2301.097357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2301.097357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2317.322233 (E_RNA)
where:
Base-Base interactions energy: -1592.498
where: short stacking energy: -670.076
Base-Backbone interact. energy: -4.494
local terms energy: -720.329597
where:
bonds (distance) C4'-P energy: -139.962
bonds (distance) P-C4' energy: -146.640
flat angles C4'-P-C4' energy: -143.433
flat angles P-C4'-P energy: -93.850
tors. eta vs tors. theta energy: -196.445
Dist. restrs. and SS energy: 16.225 (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: 53
Temperature: 1.150000
Total energy: -2298.251078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2298.251078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2307.194024 (E_RNA)
where:
Base-Base interactions energy: -1598.155
where: short stacking energy: -681.330
Base-Backbone interact. energy: -1.216
local terms energy: -707.823512
where:
bonds (distance) C4'-P energy: -134.310
bonds (distance) P-C4' energy: -137.798
flat angles C4'-P-C4' energy: -135.853
flat angles P-C4'-P energy: -97.109
tors. eta vs tors. theta energy: -202.753
Dist. restrs. and SS energy: 8.943 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -2090.988203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2090.988203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2112.891638 (E_RNA)
where:
Base-Base interactions energy: -1509.968
where: short stacking energy: -617.385
Base-Backbone interact. energy: 2.563
local terms energy: -605.486665
where:
bonds (distance) C4'-P energy: -90.215
bonds (distance) P-C4' energy: -127.864
flat angles C4'-P-C4' energy: -131.827
flat angles P-C4'-P energy: -73.363
tors. eta vs tors. theta energy: -182.217
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: 8, replica: 4
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -2027.170260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2027.170260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2045.658437 (E_RNA)
where:
Base-Base interactions energy: -1422.496
where: short stacking energy: -590.043
Base-Backbone interact. energy: 4.961
local terms energy: -628.124024
where:
bonds (distance) C4'-P energy: -118.082
bonds (distance) P-C4' energy: -133.823
flat angles C4'-P-C4' energy: -117.411
flat angles P-C4'-P energy: -81.008
tors. eta vs tors. theta energy: -177.800
Dist. restrs. and SS energy: 18.488 (S_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: 53
Temperature: 1.300000
Total energy: -1973.000709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1973.000709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2000.764176 (E_RNA)
where:
Base-Base interactions energy: -1376.079
where: short stacking energy: -560.241
Base-Backbone interact. energy: -1.134
local terms energy: -623.551719
where:
bonds (distance) C4'-P energy: -97.123
bonds (distance) P-C4' energy: -128.844
flat angles C4'-P-C4' energy: -136.807
flat angles P-C4'-P energy: -92.556
tors. eta vs tors. theta energy: -168.222
Dist. restrs. and SS energy: 27.763 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -1912.565592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.565592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.121421 (E_RNA)
where:
Base-Base interactions energy: -1338.235
where: short stacking energy: -559.940
Base-Backbone interact. energy: -0.341
local terms energy: -598.545102
where:
bonds (distance) C4'-P energy: -118.877
bonds (distance) P-C4' energy: -104.420
flat angles C4'-P-C4' energy: -133.033
flat angles P-C4'-P energy: -83.398
tors. eta vs tors. theta energy: -158.817
Dist. restrs. and SS energy: 24.556 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -2667.664391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2667.664391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2675.526649 (E_RNA)
where:
Base-Base interactions energy: -1853.242
where: short stacking energy: -752.102
Base-Backbone interact. energy: -4.300
local terms energy: -817.984804
where:
bonds (distance) C4'-P energy: -159.471
bonds (distance) P-C4' energy: -146.947
flat angles C4'-P-C4' energy: -165.776
flat angles P-C4'-P energy: -123.328
tors. eta vs tors. theta energy: -222.463
Dist. restrs. and SS energy: 7.862 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -2560.890056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2560.890056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2573.136049 (E_RNA)
where:
Base-Base interactions energy: -1770.199
where: short stacking energy: -760.143
Base-Backbone interact. energy: -3.367
local terms energy: -799.569568
where:
bonds (distance) C4'-P energy: -133.747
bonds (distance) P-C4' energy: -146.368
flat angles C4'-P-C4' energy: -181.574
flat angles P-C4'-P energy: -104.215
tors. eta vs tors. theta energy: -233.665
Dist. restrs. and SS energy: 12.246 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -2476.471446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2476.471446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2481.488917 (E_RNA)
where:
Base-Base interactions energy: -1704.493
where: short stacking energy: -730.431
Base-Backbone interact. energy: -3.943
local terms energy: -773.052544
where:
bonds (distance) C4'-P energy: -141.997
bonds (distance) P-C4' energy: -135.559
flat angles C4'-P-C4' energy: -150.395
flat angles P-C4'-P energy: -119.159
tors. eta vs tors. theta energy: -225.942
Dist. restrs. and SS energy: 5.017 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -2416.181733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2416.181733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2425.329184 (E_RNA)
where:
Base-Base interactions energy: -1709.809
where: short stacking energy: -714.911
Base-Backbone interact. energy: 0.809
local terms energy: -716.329415
where:
bonds (distance) C4'-P energy: -126.564
bonds (distance) P-C4' energy: -125.913
flat angles C4'-P-C4' energy: -156.260
flat angles P-C4'-P energy: -90.489
tors. eta vs tors. theta energy: -217.103
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: 5, replica: 9
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -2337.265622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2337.265622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2351.229949 (E_RNA)
where:
Base-Base interactions energy: -1659.461
where: short stacking energy: -684.846
Base-Backbone interact. energy: -1.186
local terms energy: -690.583408
where:
bonds (distance) C4'-P energy: -112.596
bonds (distance) P-C4' energy: -128.796
flat angles C4'-P-C4' energy: -148.228
flat angles P-C4'-P energy: -107.463
tors. eta vs tors. theta energy: -193.500
Dist. restrs. and SS energy: 13.964 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -2296.094632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2296.094632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2308.736093 (E_RNA)
where:
Base-Base interactions energy: -1594.943
where: short stacking energy: -701.127
Base-Backbone interact. energy: -3.042
local terms energy: -710.750651
where:
bonds (distance) C4'-P energy: -117.998
bonds (distance) P-C4' energy: -127.559
flat angles C4'-P-C4' energy: -148.422
flat angles P-C4'-P energy: -107.465
tors. eta vs tors. theta energy: -209.307
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: 4
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -2107.434299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2107.434299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2123.695466 (E_RNA)
where:
Base-Base interactions energy: -1493.916
where: short stacking energy: -618.600
Base-Backbone interact. energy: 2.935
local terms energy: -632.714360
where:
bonds (distance) C4'-P energy: -111.030
bonds (distance) P-C4' energy: -113.352
flat angles C4'-P-C4' energy: -151.205
flat angles P-C4'-P energy: -87.600
tors. eta vs tors. theta energy: -169.527
Dist. restrs. and SS energy: 16.261 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -2122.480876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2122.480876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2145.917948 (E_RNA)
where:
Base-Base interactions energy: -1504.565
where: short stacking energy: -610.957
Base-Backbone interact. energy: -2.335
local terms energy: -639.017972
where:
bonds (distance) C4'-P energy: -117.960
bonds (distance) P-C4' energy: -117.909
flat angles C4'-P-C4' energy: -132.813
flat angles P-C4'-P energy: -94.072
tors. eta vs tors. theta energy: -176.265
Dist. restrs. and SS energy: 23.437 (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: 3
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -2013.651812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2013.651812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2040.211636 (E_RNA)
where:
Base-Base interactions energy: -1402.775
where: short stacking energy: -589.755
Base-Backbone interact. energy: -3.086
local terms energy: -634.351511
where:
bonds (distance) C4'-P energy: -118.674
bonds (distance) P-C4' energy: -112.775
flat angles C4'-P-C4' energy: -144.897
flat angles P-C4'-P energy: -75.666
tors. eta vs tors. theta energy: -182.340
Dist. restrs. and SS energy: 26.560 (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: 1
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -1856.256775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.256775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.599265 (E_RNA)
where:
Base-Base interactions energy: -1298.874
where: short stacking energy: -517.492
Base-Backbone interact. energy: -0.341
local terms energy: -582.384541
where:
bonds (distance) C4'-P energy: -138.662
bonds (distance) P-C4' energy: -128.569
flat angles C4'-P-C4' energy: -110.330
flat angles P-C4'-P energy: -76.975
tors. eta vs tors. theta energy: -127.848
Dist. restrs. and SS energy: 25.342 (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: 10
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -2698.732875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2698.732875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2706.472174 (E_RNA)
where:
Base-Base interactions energy: -1892.054
where: short stacking energy: -778.108
Base-Backbone interact. energy: -3.244
local terms energy: -811.174483
where:
bonds (distance) C4'-P energy: -155.383
bonds (distance) P-C4' energy: -140.829
flat angles C4'-P-C4' energy: -173.752
flat angles P-C4'-P energy: -107.814
tors. eta vs tors. theta energy: -233.396
Dist. restrs. and SS energy: 7.739 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -2556.862380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2556.862380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2567.167411 (E_RNA)
where:
Base-Base interactions energy: -1763.784
where: short stacking energy: -769.680
Base-Backbone interact. energy: -1.926
local terms energy: -801.457080
where:
bonds (distance) C4'-P energy: -145.992
bonds (distance) P-C4' energy: -150.822
flat angles C4'-P-C4' energy: -168.443
flat angles P-C4'-P energy: -108.226
tors. eta vs tors. theta energy: -227.975
Dist. restrs. and SS energy: 10.305 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -2497.180142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2497.180142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2503.424184 (E_RNA)
where:
Base-Base interactions energy: -1755.239
where: short stacking energy: -743.629
Base-Backbone interact. energy: -2.613
local terms energy: -745.572659
where:
bonds (distance) C4'-P energy: -133.653
bonds (distance) P-C4' energy: -140.874
flat angles C4'-P-C4' energy: -164.753
flat angles P-C4'-P energy: -83.308
tors. eta vs tors. theta energy: -222.985
Dist. restrs. and SS energy: 6.244 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -2419.741129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2419.741129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2426.754128 (E_RNA)
where:
Base-Base interactions energy: -1669.760
where: short stacking energy: -715.102
Base-Backbone interact. energy: -2.495
local terms energy: -754.499156
where:
bonds (distance) C4'-P energy: -136.091
bonds (distance) P-C4' energy: -145.498
flat angles C4'-P-C4' energy: -164.630
flat angles P-C4'-P energy: -105.766
tors. eta vs tors. theta energy: -202.513
Dist. restrs. and SS energy: 7.013 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -2356.821340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2356.821340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2369.044504 (E_RNA)
where:
Base-Base interactions energy: -1624.026
where: short stacking energy: -681.993
Base-Backbone interact. energy: -0.933
local terms energy: -744.085389
where:
bonds (distance) C4'-P energy: -128.289
bonds (distance) P-C4' energy: -138.577
flat angles C4'-P-C4' energy: -152.213
flat angles P-C4'-P energy: -116.759
tors. eta vs tors. theta energy: -208.247
Dist. restrs. and SS energy: 12.223 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -2252.623575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2252.623575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2269.247349 (E_RNA)
where:
Base-Base interactions energy: -1554.424
where: short stacking energy: -660.140
Base-Backbone interact. energy: -2.348
local terms energy: -712.474647
where:
bonds (distance) C4'-P energy: -128.250
bonds (distance) P-C4' energy: -136.808
flat angles C4'-P-C4' energy: -147.104
flat angles P-C4'-P energy: -105.163
tors. eta vs tors. theta energy: -195.149
Dist. restrs. and SS energy: 16.624 (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: 4
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -2138.881776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2138.881776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2155.613792 (E_RNA)
where:
Base-Base interactions energy: -1521.678
where: short stacking energy: -640.719
Base-Backbone interact. energy: 2.528
local terms energy: -636.464199
where:
bonds (distance) C4'-P energy: -128.139
bonds (distance) P-C4' energy: -103.939
flat angles C4'-P-C4' energy: -124.498
flat angles P-C4'-P energy: -93.250
tors. eta vs tors. theta energy: -186.638
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: 8, replica: 3
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -2042.070199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2042.070199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2069.916946 (E_RNA)
where:
Base-Base interactions energy: -1437.125
where: short stacking energy: -594.290
Base-Backbone interact. energy: -3.514
local terms energy: -629.277883
where:
bonds (distance) C4'-P energy: -129.216
bonds (distance) P-C4' energy: -105.471
flat angles C4'-P-C4' energy: -130.787
flat angles P-C4'-P energy: -103.423
tors. eta vs tors. theta energy: -160.382
Dist. restrs. and SS energy: 27.847 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -2005.147041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2005.147041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.462754 (E_RNA)
where:
Base-Base interactions energy: -1432.619
where: short stacking energy: -574.859
Base-Backbone interact. energy: -1.129
local terms energy: -591.714170
where:
bonds (distance) C4'-P energy: -121.652
bonds (distance) P-C4' energy: -107.495
flat angles C4'-P-C4' energy: -126.416
flat angles P-C4'-P energy: -67.908
tors. eta vs tors. theta energy: -168.244
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: 10, replica: 1
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -1908.623361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.623361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1928.647907 (E_RNA)
where:
Base-Base interactions energy: -1375.619
where: short stacking energy: -582.447
Base-Backbone interact. energy: 0.353
local terms energy: -553.381741
where:
bonds (distance) C4'-P energy: -81.471
bonds (distance) P-C4' energy: -106.082
flat angles C4'-P-C4' energy: -130.879
flat angles P-C4'-P energy: -90.066
tors. eta vs tors. theta energy: -144.884
Dist. restrs. and SS energy: 20.025 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -2671.460490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2671.460490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2679.389162 (E_RNA)
where:
Base-Base interactions energy: -1894.644
where: short stacking energy: -775.772
Base-Backbone interact. energy: -3.680
local terms energy: -781.064983
where:
bonds (distance) C4'-P energy: -126.839
bonds (distance) P-C4' energy: -151.643
flat angles C4'-P-C4' energy: -168.907
flat angles P-C4'-P energy: -103.191
tors. eta vs tors. theta energy: -230.486
Dist. restrs. and SS energy: 7.929 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -2553.064958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2553.064958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2561.953771 (E_RNA)
where:
Base-Base interactions energy: -1781.020
where: short stacking energy: -759.397
Base-Backbone interact. energy: 2.433
local terms energy: -783.367175
where:
bonds (distance) C4'-P energy: -128.803
bonds (distance) P-C4' energy: -147.635
flat angles C4'-P-C4' energy: -162.500
flat angles P-C4'-P energy: -118.413
tors. eta vs tors. theta energy: -226.017
Dist. restrs. and SS energy: 8.889 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -2533.268673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2533.268673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2539.140176 (E_RNA)
where:
Base-Base interactions energy: -1778.099
where: short stacking energy: -754.234
Base-Backbone interact. energy: -0.023
local terms energy: -761.018022
where:
bonds (distance) C4'-P energy: -138.388
bonds (distance) P-C4' energy: -141.389
flat angles C4'-P-C4' energy: -161.867
flat angles P-C4'-P energy: -100.286
tors. eta vs tors. theta energy: -219.088
Dist. restrs. and SS energy: 5.872 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -2388.216372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2388.216372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2394.705325 (E_RNA)
where:
Base-Base interactions energy: -1651.279
where: short stacking energy: -719.583
Base-Backbone interact. energy: 0.778
local terms energy: -744.204290
where:
bonds (distance) C4'-P energy: -146.237
bonds (distance) P-C4' energy: -142.936
flat angles C4'-P-C4' energy: -148.148
flat angles P-C4'-P energy: -98.744
tors. eta vs tors. theta energy: -208.140
Dist. restrs. and SS energy: 6.489 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -2329.513462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2329.513462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2338.325725 (E_RNA)
where:
Base-Base interactions energy: -1650.295
where: short stacking energy: -700.154
Base-Backbone interact. energy: -1.978
local terms energy: -686.053494
where:
bonds (distance) C4'-P energy: -110.808
bonds (distance) P-C4' energy: -115.392
flat angles C4'-P-C4' energy: -150.578
flat angles P-C4'-P energy: -101.483
tors. eta vs tors. theta energy: -207.792
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: 7
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -2250.380889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2250.380889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2263.157997 (E_RNA)
where:
Base-Base interactions energy: -1563.987
where: short stacking energy: -661.271
Base-Backbone interact. energy: 0.100
local terms energy: -699.270797
where:
bonds (distance) C4'-P energy: -122.230
bonds (distance) P-C4' energy: -121.232
flat angles C4'-P-C4' energy: -169.604
flat angles P-C4'-P energy: -85.346
tors. eta vs tors. theta energy: -200.859
Dist. restrs. and SS energy: 12.777 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -2172.910684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2172.910684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2190.323203 (E_RNA)
where:
Base-Base interactions energy: -1514.670
where: short stacking energy: -641.618
Base-Backbone interact. energy: -3.254
local terms energy: -672.399173
where:
bonds (distance) C4'-P energy: -121.128
bonds (distance) P-C4' energy: -138.012
flat angles C4'-P-C4' energy: -144.422
flat angles P-C4'-P energy: -86.429
tors. eta vs tors. theta energy: -182.408
Dist. restrs. and SS energy: 17.413 (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: 3
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -2063.406824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2063.406824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2079.297518 (E_RNA)
where:
Base-Base interactions energy: -1451.405
where: short stacking energy: -606.629
Base-Backbone interact. energy: -3.219
local terms energy: -624.673909
where:
bonds (distance) C4'-P energy: -116.407
bonds (distance) P-C4' energy: -135.075
flat angles C4'-P-C4' energy: -129.196
flat angles P-C4'-P energy: -71.590
tors. eta vs tors. theta energy: -172.406
Dist. restrs. and SS energy: 15.891 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -1988.206708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1988.206708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2011.336180 (E_RNA)
where:
Base-Base interactions energy: -1407.846
where: short stacking energy: -564.511
Base-Backbone interact. energy: -3.050
local terms energy: -600.440011
where:
bonds (distance) C4'-P energy: -106.305
bonds (distance) P-C4' energy: -119.646
flat angles C4'-P-C4' energy: -138.087
flat angles P-C4'-P energy: -82.748
tors. eta vs tors. theta energy: -153.654
Dist. restrs. and SS energy: 23.129 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -1897.600628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.600628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.142542 (E_RNA)
where:
Base-Base interactions energy: -1334.300
where: short stacking energy: -533.982
Base-Backbone interact. energy: 3.570
local terms energy: -586.412410
where:
bonds (distance) C4'-P energy: -123.723
bonds (distance) P-C4' energy: -120.289
flat angles C4'-P-C4' energy: -122.109
flat angles P-C4'-P energy: -74.870
tors. eta vs tors. theta energy: -145.422
Dist. restrs. and SS energy: 19.542 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -2662.762756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2662.762756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2674.162450 (E_RNA)
where:
Base-Base interactions energy: -1880.951
where: short stacking energy: -803.718
Base-Backbone interact. energy: -1.076
local terms energy: -792.134882
where:
bonds (distance) C4'-P energy: -152.933
bonds (distance) P-C4' energy: -153.084
flat angles C4'-P-C4' energy: -161.498
flat angles P-C4'-P energy: -99.189
tors. eta vs tors. theta energy: -225.431
Dist. restrs. and SS energy: 11.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -2564.070695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2564.070695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2572.049791 (E_RNA)
where:
Base-Base interactions energy: -1788.298
where: short stacking energy: -778.843
Base-Backbone interact. energy: -1.019
local terms energy: -782.732603
where:
bonds (distance) C4'-P energy: -143.762
bonds (distance) P-C4' energy: -140.715
flat angles C4'-P-C4' energy: -169.797
flat angles P-C4'-P energy: -109.281
tors. eta vs tors. theta energy: -219.178
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: 3, replica: 8
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -2540.550482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2540.550482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2548.856041 (E_RNA)
where:
Base-Base interactions energy: -1766.624
where: short stacking energy: -721.931
Base-Backbone interact. energy: -5.185
local terms energy: -777.047118
where:
bonds (distance) C4'-P energy: -142.126
bonds (distance) P-C4' energy: -148.716
flat angles C4'-P-C4' energy: -169.712
flat angles P-C4'-P energy: -92.303
tors. eta vs tors. theta energy: -224.189
Dist. restrs. and SS energy: 8.306 (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: 9
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -2456.137289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2456.137289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2464.211098 (E_RNA)
where:
Base-Base interactions energy: -1721.100
where: short stacking energy: -723.696
Base-Backbone interact. energy: 0.647
local terms energy: -743.758095
where:
bonds (distance) C4'-P energy: -126.347
bonds (distance) P-C4' energy: -141.710
flat angles C4'-P-C4' energy: -153.831
flat angles P-C4'-P energy: -104.851
tors. eta vs tors. theta energy: -217.018
Dist. restrs. and SS energy: 8.074 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -2308.506783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2308.506783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2319.765094 (E_RNA)
where:
Base-Base interactions energy: -1623.963
where: short stacking energy: -684.402
Base-Backbone interact. energy: -3.546
local terms energy: -692.255828
where:
bonds (distance) C4'-P energy: -118.649
bonds (distance) P-C4' energy: -139.443
flat angles C4'-P-C4' energy: -140.788
flat angles P-C4'-P energy: -101.487
tors. eta vs tors. theta energy: -191.890
Dist. restrs. and SS energy: 11.258 (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: 7
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -2261.526081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2261.526081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2278.432489 (E_RNA)
where:
Base-Base interactions energy: -1612.392
where: short stacking energy: -682.451
Base-Backbone interact. energy: -3.080
local terms energy: -662.960663
where:
bonds (distance) C4'-P energy: -120.288
bonds (distance) P-C4' energy: -121.381
flat angles C4'-P-C4' energy: -142.060
flat angles P-C4'-P energy: -89.562
tors. eta vs tors. theta energy: -189.670
Dist. restrs. and SS energy: 16.906 (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: 57
Temperature: 1.200000
Total energy: -2159.323083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2159.323083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2174.953617 (E_RNA)
where:
Base-Base interactions energy: -1533.444
where: short stacking energy: -612.406
Base-Backbone interact. energy: -3.087
local terms energy: -638.422471
where:
bonds (distance) C4'-P energy: -116.503
bonds (distance) P-C4' energy: -117.858
flat angles C4'-P-C4' energy: -135.573
flat angles P-C4'-P energy: -97.712
tors. eta vs tors. theta energy: -170.777
Dist. restrs. and SS energy: 15.631 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -2049.931164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2049.931164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2073.186706 (E_RNA)
where:
Base-Base interactions energy: -1411.947
where: short stacking energy: -631.828
Base-Backbone interact. energy: -2.453
local terms energy: -658.786659
where:
bonds (distance) C4'-P energy: -116.414
bonds (distance) P-C4' energy: -125.267
flat angles C4'-P-C4' energy: -143.879
flat angles P-C4'-P energy: -90.708
tors. eta vs tors. theta energy: -182.519
Dist. restrs. and SS energy: 23.256 (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: 57
Temperature: 1.300000
Total energy: -1997.819267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1997.819267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2018.937495 (E_RNA)
where:
Base-Base interactions energy: -1408.760
where: short stacking energy: -573.028
Base-Backbone interact. energy: -0.828
local terms energy: -609.349753
where:
bonds (distance) C4'-P energy: -128.526
bonds (distance) P-C4' energy: -118.335
flat angles C4'-P-C4' energy: -128.267
flat angles P-C4'-P energy: -74.436
tors. eta vs tors. theta energy: -159.786
Dist. restrs. and SS energy: 21.118 (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: 1
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -1922.400472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.400472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.143136 (E_RNA)
where:
Base-Base interactions energy: -1355.761
where: short stacking energy: -539.356
Base-Backbone interact. energy: -1.472
local terms energy: -585.909311
where:
bonds (distance) C4'-P energy: -116.330
bonds (distance) P-C4' energy: -112.903
flat angles C4'-P-C4' energy: -130.211
flat angles P-C4'-P energy: -76.353
tors. eta vs tors. theta energy: -150.112
Dist. restrs. and SS energy: 20.743 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -2677.825202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2677.825202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2689.611378 (E_RNA)
where:
Base-Base interactions energy: -1884.759
where: short stacking energy: -800.988
Base-Backbone interact. energy: -4.607
local terms energy: -800.245047
where:
bonds (distance) C4'-P energy: -133.011
bonds (distance) P-C4' energy: -149.387
flat angles C4'-P-C4' energy: -168.290
flat angles P-C4'-P energy: -114.733
tors. eta vs tors. theta energy: -234.824
Dist. restrs. and SS energy: 11.786 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -2578.378973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2578.378973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2583.329747 (E_RNA)
where:
Base-Base interactions energy: -1821.021
where: short stacking energy: -765.568
Base-Backbone interact. energy: -3.868
local terms energy: -758.440507
where:
bonds (distance) C4'-P energy: -141.008
bonds (distance) P-C4' energy: -141.266
flat angles C4'-P-C4' energy: -161.330
flat angles P-C4'-P energy: -99.772
tors. eta vs tors. theta energy: -215.065
Dist. restrs. and SS energy: 4.951 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -2531.041973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2531.041973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2537.627426 (E_RNA)
where:
Base-Base interactions energy: -1768.738
where: short stacking energy: -737.609
Base-Backbone interact. energy: -3.846
local terms energy: -765.044030
where:
bonds (distance) C4'-P energy: -144.864
bonds (distance) P-C4' energy: -149.990
flat angles C4'-P-C4' energy: -158.815
flat angles P-C4'-P energy: -94.784
tors. eta vs tors. theta energy: -216.591
Dist. restrs. and SS energy: 6.585 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -2431.042139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2431.042139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2436.951156 (E_RNA)
where:
Base-Base interactions energy: -1699.953
where: short stacking energy: -714.055
Base-Backbone interact. energy: -2.299
local terms energy: -734.698835
where:
bonds (distance) C4'-P energy: -122.153
bonds (distance) P-C4' energy: -134.587
flat angles C4'-P-C4' energy: -157.077
flat angles P-C4'-P energy: -102.683
tors. eta vs tors. theta energy: -218.199
Dist. restrs. and SS energy: 5.909 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -2320.324706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2320.324706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2328.685714 (E_RNA)
where:
Base-Base interactions energy: -1639.776
where: short stacking energy: -657.690
Base-Backbone interact. energy: -4.323
local terms energy: -684.586404
where:
bonds (distance) C4'-P energy: -100.456
bonds (distance) P-C4' energy: -129.001
flat angles C4'-P-C4' energy: -159.881
flat angles P-C4'-P energy: -102.728
tors. eta vs tors. theta energy: -192.520
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: 6, replica: 7
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -2241.022006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2241.022006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2257.196756 (E_RNA)
where:
Base-Base interactions energy: -1584.252
where: short stacking energy: -674.451
Base-Backbone interact. energy: -1.437
local terms energy: -671.507722
where:
bonds (distance) C4'-P energy: -107.434
bonds (distance) P-C4' energy: -143.516
flat angles C4'-P-C4' energy: -145.169
flat angles P-C4'-P energy: -80.623
tors. eta vs tors. theta energy: -194.766
Dist. restrs. and SS energy: 16.175 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -2170.981431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2170.981431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2187.791476 (E_RNA)
where:
Base-Base interactions energy: -1537.238
where: short stacking energy: -636.461
Base-Backbone interact. energy: 1.831
local terms energy: -652.384562
where:
bonds (distance) C4'-P energy: -118.742
bonds (distance) P-C4' energy: -122.843
flat angles C4'-P-C4' energy: -159.544
flat angles P-C4'-P energy: -58.151
tors. eta vs tors. theta energy: -193.104
Dist. restrs. and SS energy: 16.810 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -2114.575095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2114.575095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2125.940806 (E_RNA)
where:
Base-Base interactions energy: -1492.250
where: short stacking energy: -607.520
Base-Backbone interact. energy: 3.872
local terms energy: -637.562131
where:
bonds (distance) C4'-P energy: -110.476
bonds (distance) P-C4' energy: -124.279
flat angles C4'-P-C4' energy: -138.906
flat angles P-C4'-P energy: -82.195
tors. eta vs tors. theta energy: -181.706
Dist. restrs. and SS energy: 11.366 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -1946.384157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.384157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1974.211588 (E_RNA)
where:
Base-Base interactions energy: -1385.989
where: short stacking energy: -574.592
Base-Backbone interact. energy: -1.085
local terms energy: -587.137596
where:
bonds (distance) C4'-P energy: -106.034
bonds (distance) P-C4' energy: -108.032
flat angles C4'-P-C4' energy: -135.717
flat angles P-C4'-P energy: -79.496
tors. eta vs tors. theta energy: -157.858
Dist. restrs. and SS energy: 27.827 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -1885.375098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1885.375098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1909.148332 (E_RNA)
where:
Base-Base interactions energy: -1325.919
where: short stacking energy: -537.605
Base-Backbone interact. energy: -1.078
local terms energy: -582.151043
where:
bonds (distance) C4'-P energy: -90.390
bonds (distance) P-C4' energy: -106.226
flat angles C4'-P-C4' energy: -139.448
flat angles P-C4'-P energy: -74.055
tors. eta vs tors. theta energy: -172.031
Dist. restrs. and SS energy: 23.773 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -2653.419184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2653.419184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2662.992389 (E_RNA)
where:
Base-Base interactions energy: -1869.906
where: short stacking energy: -791.434
Base-Backbone interact. energy: -2.553
local terms energy: -790.533362
where:
bonds (distance) C4'-P energy: -139.452
bonds (distance) P-C4' energy: -140.004
flat angles C4'-P-C4' energy: -170.783
flat angles P-C4'-P energy: -116.630
tors. eta vs tors. theta energy: -223.664
Dist. restrs. and SS energy: 9.573 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -2581.226639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2581.226639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2586.820816 (E_RNA)
where:
Base-Base interactions energy: -1810.889
where: short stacking energy: -766.255
Base-Backbone interact. energy: -2.877
local terms energy: -773.054701
where:
bonds (distance) C4'-P energy: -132.781
bonds (distance) P-C4' energy: -136.447
flat angles C4'-P-C4' energy: -168.924
flat angles P-C4'-P energy: -114.744
tors. eta vs tors. theta energy: -220.159
Dist. restrs. and SS energy: 5.594 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -2534.947743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2534.947743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2545.834813 (E_RNA)
where:
Base-Base interactions energy: -1752.991
where: short stacking energy: -749.647
Base-Backbone interact. energy: -3.683
local terms energy: -789.160541
where:
bonds (distance) C4'-P energy: -139.132
bonds (distance) P-C4' energy: -145.709
flat angles C4'-P-C4' energy: -168.887
flat angles P-C4'-P energy: -107.555
tors. eta vs tors. theta energy: -227.876
Dist. restrs. and SS energy: 10.887 (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: 9
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -2437.278519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2437.278519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2444.346934 (E_RNA)
where:
Base-Base interactions energy: -1716.013
where: short stacking energy: -724.067
Base-Backbone interact. energy: -3.134
local terms energy: -725.200185
where:
bonds (distance) C4'-P energy: -133.577
bonds (distance) P-C4' energy: -116.439
flat angles C4'-P-C4' energy: -164.247
flat angles P-C4'-P energy: -90.415
tors. eta vs tors. theta energy: -220.521
Dist. restrs. and SS energy: 7.068 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -2329.789278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2329.789278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2339.267181 (E_RNA)
where:
Base-Base interactions energy: -1614.936
where: short stacking energy: -690.567
Base-Backbone interact. energy: -0.754
local terms energy: -723.577631
where:
bonds (distance) C4'-P energy: -131.638
bonds (distance) P-C4' energy: -125.423
flat angles C4'-P-C4' energy: -151.032
flat angles P-C4'-P energy: -108.589
tors. eta vs tors. theta energy: -206.895
Dist. restrs. and SS energy: 9.478 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -2280.975468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2280.975468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2297.496296 (E_RNA)
where:
Base-Base interactions energy: -1567.011
where: short stacking energy: -672.508
Base-Backbone interact. energy: -1.362
local terms energy: -729.123105
where:
bonds (distance) C4'-P energy: -132.397
bonds (distance) P-C4' energy: -134.262
flat angles C4'-P-C4' energy: -168.150
flat angles P-C4'-P energy: -93.181
tors. eta vs tors. theta energy: -201.133
Dist. restrs. and SS energy: 16.521 (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: 4
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -2175.153605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2175.153605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2187.192358 (E_RNA)
where:
Base-Base interactions energy: -1545.831
where: short stacking energy: -645.831
Base-Backbone interact. energy: -2.227
local terms energy: -639.134422
where:
bonds (distance) C4'-P energy: -110.155
bonds (distance) P-C4' energy: -114.742
flat angles C4'-P-C4' energy: -129.989
flat angles P-C4'-P energy: -88.316
tors. eta vs tors. theta energy: -195.933
Dist. restrs. and SS energy: 12.039 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -2086.314933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2086.314933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2096.005863 (E_RNA)
where:
Base-Base interactions energy: -1498.125
where: short stacking energy: -622.851
Base-Backbone interact. energy: -3.208
local terms energy: -594.672824
where:
bonds (distance) C4'-P energy: -88.455
bonds (distance) P-C4' energy: -135.852
flat angles C4'-P-C4' energy: -120.572
flat angles P-C4'-P energy: -82.906
tors. eta vs tors. theta energy: -166.888
Dist. restrs. and SS energy: 9.691 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -1984.880489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1984.880489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2003.815708 (E_RNA)
where:
Base-Base interactions energy: -1409.561
where: short stacking energy: -583.297
Base-Backbone interact. energy: 0.124
local terms energy: -594.378383
where:
bonds (distance) C4'-P energy: -102.650
bonds (distance) P-C4' energy: -123.488
flat angles C4'-P-C4' energy: -129.597
flat angles P-C4'-P energy: -83.629
tors. eta vs tors. theta energy: -155.014
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: 10, replica: 1
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -1890.630190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.630190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1913.607317 (E_RNA)
where:
Base-Base interactions energy: -1364.826
where: short stacking energy: -539.168
Base-Backbone interact. energy: -2.065
local terms energy: -546.716184
where:
bonds (distance) C4'-P energy: -110.427
bonds (distance) P-C4' energy: -91.141
flat angles C4'-P-C4' energy: -108.884
flat angles P-C4'-P energy: -87.108
tors. eta vs tors. theta energy: -149.156
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: 10
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -2638.537610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2638.537610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2646.575803 (E_RNA)
where:
Base-Base interactions energy: -1837.167
where: short stacking energy: -775.666
Base-Backbone interact. energy: -2.212
local terms energy: -807.196616
where:
bonds (distance) C4'-P energy: -142.365
bonds (distance) P-C4' energy: -146.093
flat angles C4'-P-C4' energy: -174.642
flat angles P-C4'-P energy: -119.608
tors. eta vs tors. theta energy: -224.489
Dist. restrs. and SS energy: 8.038 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -2581.680727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2581.680727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2588.188278 (E_RNA)
where:
Base-Base interactions energy: -1810.410
where: short stacking energy: -764.962
Base-Backbone interact. energy: -0.104
local terms energy: -777.674372
where:
bonds (distance) C4'-P energy: -141.145
bonds (distance) P-C4' energy: -137.508
flat angles C4'-P-C4' energy: -170.289
flat angles P-C4'-P energy: -103.709
tors. eta vs tors. theta energy: -225.023
Dist. restrs. and SS energy: 6.508 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -2540.656294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2540.656294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2547.108171 (E_RNA)
where:
Base-Base interactions energy: -1760.973
where: short stacking energy: -732.083
Base-Backbone interact. energy: -4.254
local terms energy: -781.881506
where:
bonds (distance) C4'-P energy: -133.725
bonds (distance) P-C4' energy: -144.695
flat angles C4'-P-C4' energy: -171.663
flat angles P-C4'-P energy: -111.637
tors. eta vs tors. theta energy: -220.162
Dist. restrs. and SS energy: 6.452 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -2419.554114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2419.554114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2431.045838 (E_RNA)
where:
Base-Base interactions energy: -1715.939
where: short stacking energy: -725.373
Base-Backbone interact. energy: 4.488
local terms energy: -719.594890
where:
bonds (distance) C4'-P energy: -123.279
bonds (distance) P-C4' energy: -125.699
flat angles C4'-P-C4' energy: -152.510
flat angles P-C4'-P energy: -104.290
tors. eta vs tors. theta energy: -213.817
Dist. restrs. and SS energy: 11.492 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -2336.656097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2336.656097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2347.156833 (E_RNA)
where:
Base-Base interactions energy: -1655.834
where: short stacking energy: -683.709
Base-Backbone interact. energy: -2.619
local terms energy: -688.703195
where:
bonds (distance) C4'-P energy: -112.988
bonds (distance) P-C4' energy: -134.797
flat angles C4'-P-C4' energy: -143.320
flat angles P-C4'-P energy: -98.430
tors. eta vs tors. theta energy: -199.169
Dist. restrs. and SS energy: 10.501 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -2267.954412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2267.954412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2280.730026 (E_RNA)
where:
Base-Base interactions energy: -1578.361
where: short stacking energy: -692.523
Base-Backbone interact. energy: 3.038
local terms energy: -705.406961
where:
bonds (distance) C4'-P energy: -130.595
bonds (distance) P-C4' energy: -122.059
flat angles C4'-P-C4' energy: -157.177
flat angles P-C4'-P energy: -92.406
tors. eta vs tors. theta energy: -203.169
Dist. restrs. and SS energy: 12.776 (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: 4
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -2141.588187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2141.588187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2158.680236 (E_RNA)
where:
Base-Base interactions energy: -1532.751
where: short stacking energy: -635.406
Base-Backbone interact. energy: -0.851
local terms energy: -625.077509
where:
bonds (distance) C4'-P energy: -129.030
bonds (distance) P-C4' energy: -126.586
flat angles C4'-P-C4' energy: -131.390
flat angles P-C4'-P energy: -64.010
tors. eta vs tors. theta energy: -174.062
Dist. restrs. and SS energy: 17.092 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -2112.477992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2112.477992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2126.034397 (E_RNA)
where:
Base-Base interactions energy: -1478.240
where: short stacking energy: -616.305
Base-Backbone interact. energy: -1.008
local terms energy: -646.786253
where:
bonds (distance) C4'-P energy: -112.560
bonds (distance) P-C4' energy: -107.232
flat angles C4'-P-C4' energy: -147.520
flat angles P-C4'-P energy: -95.392
tors. eta vs tors. theta energy: -184.083
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: 60
Temperature: 1.300000
Total energy: -2003.295567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2003.295567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2020.367061 (E_RNA)
where:
Base-Base interactions energy: -1405.440
where: short stacking energy: -589.523
Base-Backbone interact. energy: -1.095
local terms energy: -613.832768
where:
bonds (distance) C4'-P energy: -115.789
bonds (distance) P-C4' energy: -104.666
flat angles C4'-P-C4' energy: -136.030
flat angles P-C4'-P energy: -74.935
tors. eta vs tors. theta energy: -182.413
Dist. restrs. and SS energy: 17.071 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -1855.754144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.754144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.294106 (E_RNA)
where:
Base-Base interactions energy: -1332.210
where: short stacking energy: -547.678
Base-Backbone interact. energy: -1.849
local terms energy: -547.234400
where:
bonds (distance) C4'-P energy: -108.424
bonds (distance) P-C4' energy: -101.094
flat angles C4'-P-C4' energy: -120.915
flat angles P-C4'-P energy: -74.303
tors. eta vs tors. theta energy: -142.498
Dist. restrs. and SS energy: 25.540 (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: 10
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -2695.616223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2695.616223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2703.333033 (E_RNA)
where:
Base-Base interactions energy: -1877.864
where: short stacking energy: -786.817
Base-Backbone interact. energy: -4.517
local terms energy: -820.952197
where:
bonds (distance) C4'-P energy: -152.058
bonds (distance) P-C4' energy: -154.116
flat angles C4'-P-C4' energy: -164.999
flat angles P-C4'-P energy: -116.209
tors. eta vs tors. theta energy: -233.571
Dist. restrs. and SS energy: 7.717 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -2598.697842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2598.697842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2603.604899 (E_RNA)
where:
Base-Base interactions energy: -1852.531
where: short stacking energy: -787.365
Base-Backbone interact. energy: -2.369
local terms energy: -748.704562
where:
bonds (distance) C4'-P energy: -145.241
bonds (distance) P-C4' energy: -124.115
flat angles C4'-P-C4' energy: -155.462
flat angles P-C4'-P energy: -100.366
tors. eta vs tors. theta energy: -223.521
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: 3, replica: 8
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -2514.414755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2514.414755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2520.541165 (E_RNA)
where:
Base-Base interactions energy: -1713.952
where: short stacking energy: -716.418
Base-Backbone interact. energy: -1.744
local terms energy: -804.844217
where:
bonds (distance) C4'-P energy: -154.742
bonds (distance) P-C4' energy: -157.848
flat angles C4'-P-C4' energy: -157.755
flat angles P-C4'-P energy: -115.368
tors. eta vs tors. theta energy: -219.131
Dist. restrs. and SS energy: 6.126 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -2423.296477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2423.296477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2436.428295 (E_RNA)
where:
Base-Base interactions energy: -1699.273
where: short stacking energy: -746.444
Base-Backbone interact. energy: -0.546
local terms energy: -736.609495
where:
bonds (distance) C4'-P energy: -127.793
bonds (distance) P-C4' energy: -126.471
flat angles C4'-P-C4' energy: -155.063
flat angles P-C4'-P energy: -98.327
tors. eta vs tors. theta energy: -228.956
Dist. restrs. and SS energy: 13.132 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -2312.396152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2312.396152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2321.144010 (E_RNA)
where:
Base-Base interactions energy: -1619.755
where: short stacking energy: -676.076
Base-Backbone interact. energy: -2.874
local terms energy: -698.515320
where:
bonds (distance) C4'-P energy: -137.877
bonds (distance) P-C4' energy: -118.561
flat angles C4'-P-C4' energy: -142.347
flat angles P-C4'-P energy: -97.912
tors. eta vs tors. theta energy: -201.818
Dist. restrs. and SS energy: 8.748 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -2270.585041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2270.585041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2288.124155 (E_RNA)
where:
Base-Base interactions energy: -1587.341
where: short stacking energy: -659.501
Base-Backbone interact. energy: -3.137
local terms energy: -697.646647
where:
bonds (distance) C4'-P energy: -127.667
bonds (distance) P-C4' energy: -128.553
flat angles C4'-P-C4' energy: -143.533
flat angles P-C4'-P energy: -101.294
tors. eta vs tors. theta energy: -196.600
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: 7, replica: 4
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -2171.180515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2171.180515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2185.346433 (E_RNA)
where:
Base-Base interactions energy: -1535.509
where: short stacking energy: -621.379
Base-Backbone interact. energy: -2.002
local terms energy: -647.834487
where:
bonds (distance) C4'-P energy: -122.450
bonds (distance) P-C4' energy: -121.488
flat angles C4'-P-C4' energy: -141.242
flat angles P-C4'-P energy: -81.023
tors. eta vs tors. theta energy: -181.631
Dist. restrs. and SS energy: 14.166 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -2035.600722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2035.600722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2056.297913 (E_RNA)
where:
Base-Base interactions energy: -1435.428
where: short stacking energy: -598.625
Base-Backbone interact. energy: -2.655
local terms energy: -618.214962
where:
bonds (distance) C4'-P energy: -106.465
bonds (distance) P-C4' energy: -113.512
flat angles C4'-P-C4' energy: -129.983
flat angles P-C4'-P energy: -102.031
tors. eta vs tors. theta energy: -166.223
Dist. restrs. and SS energy: 20.697 (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: 6
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -1974.966590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.966590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1988.479871 (E_RNA)
where:
Base-Base interactions energy: -1373.192
where: short stacking energy: -558.881
Base-Backbone interact. energy: -1.222
local terms energy: -614.065766
where:
bonds (distance) C4'-P energy: -129.416
bonds (distance) P-C4' energy: -117.260
flat angles C4'-P-C4' energy: -129.352
flat angles P-C4'-P energy: -85.720
tors. eta vs tors. theta energy: -152.318
Dist. restrs. and SS energy: 13.513 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -1839.504416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.504416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.860637 (E_RNA)
where:
Base-Base interactions energy: -1330.408
where: short stacking energy: -531.349
Base-Backbone interact. energy: 4.600
local terms energy: -532.052635
where:
bonds (distance) C4'-P energy: -106.741
bonds (distance) P-C4' energy: -90.554
flat angles C4'-P-C4' energy: -127.293
flat angles P-C4'-P energy: -73.272
tors. eta vs tors. theta energy: -134.192
Dist. restrs. and SS energy: 18.356 (S_DIST_RNA)
chem. 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: -2681.100397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2681.100397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2688.516764 (E_RNA)
where:
Base-Base interactions energy: -1877.344
where: short stacking energy: -797.144
Base-Backbone interact. energy: -3.400
local terms energy: -807.772845
where:
bonds (distance) C4'-P energy: -124.967
bonds (distance) P-C4' energy: -155.462
flat angles C4'-P-C4' energy: -168.424
flat angles P-C4'-P energy: -119.351
tors. eta vs tors. theta energy: -239.569
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: 2, replica: 2
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -2589.144744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2589.144744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2595.078298 (E_RNA)
where:
Base-Base interactions energy: -1813.941
where: short stacking energy: -746.301
Base-Backbone interact. energy: -3.324
local terms energy: -777.813110
where:
bonds (distance) C4'-P energy: -145.973
bonds (distance) P-C4' energy: -140.420
flat angles C4'-P-C4' energy: -166.993
flat angles P-C4'-P energy: -101.458
tors. eta vs tors. theta energy: -222.969
Dist. restrs. and SS energy: 5.934 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -2524.384351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2524.384351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2536.071065 (E_RNA)
where:
Base-Base interactions energy: -1754.605
where: short stacking energy: -757.141
Base-Backbone interact. energy: -3.083
local terms energy: -778.383637
where:
bonds (distance) C4'-P energy: -142.672
bonds (distance) P-C4' energy: -142.685
flat angles C4'-P-C4' energy: -164.826
flat angles P-C4'-P energy: -93.630
tors. eta vs tors. theta energy: -234.570
Dist. restrs. and SS energy: 11.687 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -2459.831407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2459.831407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2466.778147 (E_RNA)
where:
Base-Base interactions energy: -1756.433
where: short stacking energy: -744.940
Base-Backbone interact. energy: -2.517
local terms energy: -707.827870
where:
bonds (distance) C4'-P energy: -131.877
bonds (distance) P-C4' energy: -123.212
flat angles C4'-P-C4' energy: -136.324
flat angles P-C4'-P energy: -94.262
tors. eta vs tors. theta energy: -222.153
Dist. restrs. and SS energy: 6.947 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -2297.199247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2297.199247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2310.099789 (E_RNA)
where:
Base-Base interactions energy: -1590.874
where: short stacking energy: -683.877
Base-Backbone interact. energy: -1.578
local terms energy: -717.647543
where:
bonds (distance) C4'-P energy: -126.601
bonds (distance) P-C4' energy: -116.120
flat angles C4'-P-C4' energy: -155.082
flat angles P-C4'-P energy: -110.967
tors. eta vs tors. theta energy: -208.878
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: 6, replica: 7
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -2288.381304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2288.381304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2299.671762 (E_RNA)
where:
Base-Base interactions energy: -1621.839
where: short stacking energy: -677.568
Base-Backbone interact. energy: -1.380
local terms energy: -676.452420
where:
bonds (distance) C4'-P energy: -112.238
bonds (distance) P-C4' energy: -140.099
flat angles C4'-P-C4' energy: -152.452
flat angles P-C4'-P energy: -60.043
tors. eta vs tors. theta energy: -211.620
Dist. restrs. and SS energy: 11.290 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -2147.308173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2147.308173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2156.625192 (E_RNA)
where:
Base-Base interactions energy: -1492.159
where: short stacking energy: -618.197
Base-Backbone interact. energy: -2.248
local terms energy: -662.217712
where:
bonds (distance) C4'-P energy: -115.928
bonds (distance) P-C4' energy: -122.444
flat angles C4'-P-C4' energy: -152.917
flat angles P-C4'-P energy: -95.797
tors. eta vs tors. theta energy: -175.132
Dist. restrs. and SS energy: 9.317 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -2077.026517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2077.026517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.418322 (E_RNA)
where:
Base-Base interactions energy: -1456.175
where: short stacking energy: -581.015
Base-Backbone interact. energy: -3.159
local terms energy: -636.083671
where:
bonds (distance) C4'-P energy: -130.053
bonds (distance) P-C4' energy: -130.737
flat angles C4'-P-C4' energy: -134.248
flat angles P-C4'-P energy: -83.952
tors. eta vs tors. theta energy: -157.093
Dist. restrs. and SS energy: 18.392 (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: 6
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -1976.433615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1976.433615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1997.018601 (E_RNA)
where:
Base-Base interactions energy: -1394.013
where: short stacking energy: -583.575
Base-Backbone interact. energy: 0.932
local terms energy: -603.938086
where:
bonds (distance) C4'-P energy: -110.419
bonds (distance) P-C4' energy: -114.830
flat angles C4'-P-C4' energy: -127.082
flat angles P-C4'-P energy: -100.105
tors. eta vs tors. theta energy: -151.502
Dist. restrs. and SS energy: 20.585 (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: 1
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -1852.284503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.284503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.250328 (E_RNA)
where:
Base-Base interactions energy: -1317.637
where: short stacking energy: -534.562
Base-Backbone interact. energy: -1.677
local terms energy: -566.936650
where:
bonds (distance) C4'-P energy: -94.865
bonds (distance) P-C4' energy: -116.154
flat angles C4'-P-C4' energy: -134.045
flat angles P-C4'-P energy: -74.065
tors. eta vs tors. theta energy: -147.808
Dist. restrs. and SS energy: 33.966 (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: 10
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -2683.946264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2683.946264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2692.021711 (E_RNA)
where:
Base-Base interactions energy: -1870.556
where: short stacking energy: -789.403
Base-Backbone interact. energy: -4.581
local terms energy: -816.884674
where:
bonds (distance) C4'-P energy: -152.248
bonds (distance) P-C4' energy: -143.776
flat angles C4'-P-C4' energy: -173.484
flat angles P-C4'-P energy: -117.908
tors. eta vs tors. theta energy: -229.469
Dist. restrs. and SS energy: 8.075 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -2584.742450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2584.742450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2588.909139 (E_RNA)
where:
Base-Base interactions energy: -1820.240
where: short stacking energy: -760.236
Base-Backbone interact. energy: -0.891
local terms energy: -767.778193
where:
bonds (distance) C4'-P energy: -128.890
bonds (distance) P-C4' energy: -145.886
flat angles C4'-P-C4' energy: -165.378
flat angles P-C4'-P energy: -105.498
tors. eta vs tors. theta energy: -222.126
Dist. restrs. and SS energy: 4.167 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -2528.796828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2528.796828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2538.037538 (E_RNA)
where:
Base-Base interactions energy: -1768.480
where: short stacking energy: -741.449
Base-Backbone interact. energy: -4.434
local terms energy: -765.123645
where:
bonds (distance) C4'-P energy: -139.865
bonds (distance) P-C4' energy: -148.643
flat angles C4'-P-C4' energy: -154.045
flat angles P-C4'-P energy: -101.056
tors. eta vs tors. theta energy: -221.514
Dist. restrs. and SS energy: 9.241 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -2468.807454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2468.807454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2473.799564 (E_RNA)
where:
Base-Base interactions energy: -1702.890
where: short stacking energy: -692.436
Base-Backbone interact. energy: -3.963
local terms energy: -766.946672
where:
bonds (distance) C4'-P energy: -140.046
bonds (distance) P-C4' energy: -142.239
flat angles C4'-P-C4' energy: -155.493
flat angles P-C4'-P energy: -108.205
tors. eta vs tors. theta energy: -220.964
Dist. restrs. and SS energy: 4.992 (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: 5
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -2351.846837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2351.846837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2359.203329 (E_RNA)
where:
Base-Base interactions energy: -1627.602
where: short stacking energy: -654.697
Base-Backbone interact. energy: -2.091
local terms energy: -729.510729
where:
bonds (distance) C4'-P energy: -131.818
bonds (distance) P-C4' energy: -146.646
flat angles C4'-P-C4' energy: -150.568
flat angles P-C4'-P energy: -96.392
tors. eta vs tors. theta energy: -204.086
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: 6, replica: 7
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -2284.454690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2284.454690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2300.460180 (E_RNA)
where:
Base-Base interactions energy: -1558.964
where: short stacking energy: -697.300
Base-Backbone interact. energy: -2.730
local terms energy: -738.765566
where:
bonds (distance) C4'-P energy: -131.693
bonds (distance) P-C4' energy: -125.769
flat angles C4'-P-C4' energy: -171.466
flat angles P-C4'-P energy: -91.821
tors. eta vs tors. theta energy: -218.017
Dist. restrs. and SS energy: 16.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -2188.474045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2188.474045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2202.454998 (E_RNA)
where:
Base-Base interactions energy: -1536.875
where: short stacking energy: -623.068
Base-Backbone interact. energy: -1.401
local terms energy: -664.179270
where:
bonds (distance) C4'-P energy: -104.010
bonds (distance) P-C4' energy: -128.610
flat angles C4'-P-C4' energy: -140.939
flat angles P-C4'-P energy: -99.941
tors. eta vs tors. theta energy: -190.679
Dist. restrs. and SS energy: 13.981 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -2137.426417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2137.426417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2153.874207 (E_RNA)
where:
Base-Base interactions energy: -1503.134
where: short stacking energy: -597.039
Base-Backbone interact. energy: -0.036
local terms energy: -650.704470
where:
bonds (distance) C4'-P energy: -119.740
bonds (distance) P-C4' energy: -143.528
flat angles C4'-P-C4' energy: -144.779
flat angles P-C4'-P energy: -78.583
tors. eta vs tors. theta energy: -164.074
Dist. restrs. and SS energy: 16.448 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -1960.102743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.102743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1985.682923 (E_RNA)
where:
Base-Base interactions energy: -1376.568
where: short stacking energy: -572.072
Base-Backbone interact. energy: -2.811
local terms energy: -606.303778
where:
bonds (distance) C4'-P energy: -118.896
bonds (distance) P-C4' energy: -119.677
flat angles C4'-P-C4' energy: -114.107
flat angles P-C4'-P energy: -88.132
tors. eta vs tors. theta energy: -165.493
Dist. restrs. and SS energy: 25.580 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -1842.798785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.798785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.023602 (E_RNA)
where:
Base-Base interactions energy: -1300.010
where: short stacking energy: -519.973
Base-Backbone interact. energy: -1.048
local terms energy: -571.966388
where:
bonds (distance) C4'-P energy: -114.846
bonds (distance) P-C4' energy: -126.720
flat angles C4'-P-C4' energy: -121.668
flat angles P-C4'-P energy: -67.843
tors. eta vs tors. theta energy: -140.889
Dist. restrs. and SS energy: 30.225 (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: 10
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -2674.468000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2674.468000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2680.203168 (E_RNA)
where:
Base-Base interactions energy: -1847.711
where: short stacking energy: -791.417
Base-Backbone interact. energy: -2.692
local terms energy: -829.800762
where:
bonds (distance) C4'-P energy: -161.657
bonds (distance) P-C4' energy: -144.041
flat angles C4'-P-C4' energy: -174.942
flat angles P-C4'-P energy: -115.920
tors. eta vs tors. theta energy: -233.241
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: 2, replica: 2
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -2589.045832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2589.045832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2597.968498 (E_RNA)
where:
Base-Base interactions energy: -1824.865
where: short stacking energy: -764.865
Base-Backbone interact. energy: -3.282
local terms energy: -769.820843
where:
bonds (distance) C4'-P energy: -146.453
bonds (distance) P-C4' energy: -125.395
flat angles C4'-P-C4' energy: -170.243
flat angles P-C4'-P energy: -107.310
tors. eta vs tors. theta energy: -220.420
Dist. restrs. and SS energy: 8.923 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -2511.430537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2511.430537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2521.521195 (E_RNA)
where:
Base-Base interactions energy: -1759.393
where: short stacking energy: -772.754
Base-Backbone interact. energy: -0.632
local terms energy: -761.495758
where:
bonds (distance) C4'-P energy: -118.395
bonds (distance) P-C4' energy: -146.616
flat angles C4'-P-C4' energy: -168.220
flat angles P-C4'-P energy: -106.375
tors. eta vs tors. theta energy: -221.890
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: 4, replica: 8
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -2494.343016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2494.343016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2501.266766 (E_RNA)
where:
Base-Base interactions energy: -1750.367
where: short stacking energy: -728.494
Base-Backbone interact. energy: -5.927
local terms energy: -744.972722
where:
bonds (distance) C4'-P energy: -125.636
bonds (distance) P-C4' energy: -131.742
flat angles C4'-P-C4' energy: -162.434
flat angles P-C4'-P energy: -112.482
tors. eta vs tors. theta energy: -212.678
Dist. restrs. and SS energy: 6.924 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -2363.103677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2363.103677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2377.799635 (E_RNA)
where:
Base-Base interactions energy: -1637.394
where: short stacking energy: -692.362
Base-Backbone interact. energy: -0.945
local terms energy: -739.461121
where:
bonds (distance) C4'-P energy: -135.659
bonds (distance) P-C4' energy: -150.862
flat angles C4'-P-C4' energy: -164.657
flat angles P-C4'-P energy: -96.951
tors. eta vs tors. theta energy: -191.331
Dist. restrs. and SS energy: 14.696 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -2269.248249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2269.248249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2284.207386 (E_RNA)
where:
Base-Base interactions energy: -1584.594
where: short stacking energy: -698.143
Base-Backbone interact. energy: -1.619
local terms energy: -697.994411
where:
bonds (distance) C4'-P energy: -122.635
bonds (distance) P-C4' energy: -133.115
flat angles C4'-P-C4' energy: -146.256
flat angles P-C4'-P energy: -80.202
tors. eta vs tors. theta energy: -215.787
Dist. restrs. and SS energy: 14.959 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -2187.297191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2187.297191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2206.671811 (E_RNA)
where:
Base-Base interactions energy: -1551.442
where: short stacking energy: -640.789
Base-Backbone interact. energy: 0.666
local terms energy: -655.895694
where:
bonds (distance) C4'-P energy: -135.257
bonds (distance) P-C4' energy: -109.417
flat angles C4'-P-C4' energy: -124.225
flat angles P-C4'-P energy: -86.940
tors. eta vs tors. theta energy: -200.056
Dist. restrs. and SS energy: 19.375 (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: 4
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -2077.384894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2077.384894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2090.789263 (E_RNA)
where:
Base-Base interactions energy: -1499.474
where: short stacking energy: -621.476
Base-Backbone interact. energy: 1.160
local terms energy: -592.475471
where:
bonds (distance) C4'-P energy: -92.370
bonds (distance) P-C4' energy: -133.070
flat angles C4'-P-C4' energy: -130.265
flat angles P-C4'-P energy: -62.471
tors. eta vs tors. theta energy: -174.300
Dist. restrs. and SS energy: 13.404 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -1937.995073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.995073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1955.007433 (E_RNA)
where:
Base-Base interactions energy: -1367.885
where: short stacking energy: -552.467
Base-Backbone interact. energy: 0.507
local terms energy: -587.629074
where:
bonds (distance) C4'-P energy: -100.780
bonds (distance) P-C4' energy: -129.808
flat angles C4'-P-C4' energy: -126.640
flat angles P-C4'-P energy: -80.873
tors. eta vs tors. theta energy: -149.527
Dist. restrs. and SS energy: 17.012 (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: 1
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -1814.394817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1814.394817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.163592 (E_RNA)
where:
Base-Base interactions energy: -1289.326
where: short stacking energy: -506.848
Base-Backbone interact. energy: -1.482
local terms energy: -547.355351
where:
bonds (distance) C4'-P energy: -105.155
bonds (distance) P-C4' energy: -94.957
flat angles C4'-P-C4' energy: -136.562
flat angles P-C4'-P energy: -82.722
tors. eta vs tors. theta energy: -127.960
Dist. restrs. and SS energy: 23.769 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -2669.772364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2669.772364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2676.910883 (E_RNA)
where:
Base-Base interactions energy: -1864.430
where: short stacking energy: -791.881
Base-Backbone interact. energy: -2.555
local terms energy: -809.925998
where:
bonds (distance) C4'-P energy: -141.518
bonds (distance) P-C4' energy: -145.720
flat angles C4'-P-C4' energy: -173.931
flat angles P-C4'-P energy: -111.360
tors. eta vs tors. theta energy: -237.396
Dist. restrs. and SS energy: 7.139 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -2576.908933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2576.908933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2585.329087 (E_RNA)
where:
Base-Base interactions energy: -1798.069
where: short stacking energy: -757.776
Base-Backbone interact. energy: -2.901
local terms energy: -784.358712
where:
bonds (distance) C4'-P energy: -137.806
bonds (distance) P-C4' energy: -149.334
flat angles C4'-P-C4' energy: -170.121
flat angles P-C4'-P energy: -115.683
tors. eta vs tors. theta energy: -211.416
Dist. restrs. and SS energy: 8.420 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -2495.767746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2495.767746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2503.786446 (E_RNA)
where:
Base-Base interactions energy: -1735.468
where: short stacking energy: -740.417
Base-Backbone interact. energy: -1.732
local terms energy: -766.587179
where:
bonds (distance) C4'-P energy: -135.902
bonds (distance) P-C4' energy: -143.775
flat angles C4'-P-C4' energy: -157.016
flat angles P-C4'-P energy: -109.274
tors. eta vs tors. theta energy: -220.619
Dist. restrs. and SS energy: 8.019 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -2439.464903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2439.464903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2444.751246 (E_RNA)
where:
Base-Base interactions energy: -1703.141
where: short stacking energy: -728.778
Base-Backbone interact. energy: -0.363
local terms energy: -741.247206
where:
bonds (distance) C4'-P energy: -145.505
bonds (distance) P-C4' energy: -140.731
flat angles C4'-P-C4' energy: -149.314
flat angles P-C4'-P energy: -91.116
tors. eta vs tors. theta energy: -214.581
Dist. restrs. and SS energy: 5.286 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -2339.845555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2339.845555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2351.361981 (E_RNA)
where:
Base-Base interactions energy: -1624.915
where: short stacking energy: -689.750
Base-Backbone interact. energy: -3.041
local terms energy: -723.406005
where:
bonds (distance) C4'-P energy: -130.202
bonds (distance) P-C4' energy: -125.709
flat angles C4'-P-C4' energy: -165.149
flat angles P-C4'-P energy: -100.560
tors. eta vs tors. theta energy: -201.786
Dist. restrs. and SS energy: 11.516 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -2314.238051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2314.238051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2324.458996 (E_RNA)
where:
Base-Base interactions energy: -1609.331
where: short stacking energy: -683.923
Base-Backbone interact. energy: -1.185
local terms energy: -713.943552
where:
bonds (distance) C4'-P energy: -113.839
bonds (distance) P-C4' energy: -134.291
flat angles C4'-P-C4' energy: -153.428
flat angles P-C4'-P energy: -96.762
tors. eta vs tors. theta energy: -215.624
Dist. restrs. and SS energy: 10.221 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -2186.129759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2186.129759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2210.391780 (E_RNA)
where:
Base-Base interactions energy: -1554.620
where: short stacking energy: -646.237
Base-Backbone interact. energy: -0.310
local terms energy: -655.461586
where:
bonds (distance) C4'-P energy: -124.375
bonds (distance) P-C4' energy: -122.796
flat angles C4'-P-C4' energy: -139.666
flat angles P-C4'-P energy: -72.047
tors. eta vs tors. theta energy: -196.578
Dist. restrs. and SS energy: 24.262 (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: 4
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -2074.631499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2074.631499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2094.460704 (E_RNA)
where:
Base-Base interactions energy: -1473.909
where: short stacking energy: -611.155
Base-Backbone interact. energy: -0.644
local terms energy: -619.907922
where:
bonds (distance) C4'-P energy: -104.382
bonds (distance) P-C4' energy: -89.087
flat angles C4'-P-C4' energy: -133.195
flat angles P-C4'-P energy: -107.168
tors. eta vs tors. theta energy: -186.076
Dist. restrs. and SS energy: 19.829 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -2028.272915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2028.272915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2046.199004 (E_RNA)
where:
Base-Base interactions energy: -1421.008
where: short stacking energy: -580.045
Base-Backbone interact. energy: -4.365
local terms energy: -620.825682
where:
bonds (distance) C4'-P energy: -117.964
bonds (distance) P-C4' energy: -109.077
flat angles C4'-P-C4' energy: -142.002
flat angles P-C4'-P energy: -85.990
tors. eta vs tors. theta energy: -165.792
Dist. restrs. and SS energy: 17.926 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -1871.276990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.276990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.472853 (E_RNA)
where:
Base-Base interactions energy: -1318.211
where: short stacking energy: -557.865
Base-Backbone interact. energy: 0.320
local terms energy: -584.582011
where:
bonds (distance) C4'-P energy: -111.371
bonds (distance) P-C4' energy: -110.880
flat angles C4'-P-C4' energy: -138.367
flat angles P-C4'-P energy: -80.402
tors. eta vs tors. theta energy: -143.562
Dist. restrs. and SS energy: 31.196 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -2664.846397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2664.846397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2673.258142 (E_RNA)
where:
Base-Base interactions energy: -1863.094
where: short stacking energy: -776.104
Base-Backbone interact. energy: -1.208
local terms energy: -808.956310
where:
bonds (distance) C4'-P energy: -140.904
bonds (distance) P-C4' energy: -161.006
flat angles C4'-P-C4' energy: -160.237
flat angles P-C4'-P energy: -113.534
tors. eta vs tors. theta energy: -233.275
Dist. restrs. and SS energy: 8.412 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -2595.738334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2595.738334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2602.422267 (E_RNA)
where:
Base-Base interactions energy: -1819.620
where: short stacking energy: -763.546
Base-Backbone interact. energy: -2.655
local terms energy: -780.147359
where:
bonds (distance) C4'-P energy: -144.930
bonds (distance) P-C4' energy: -157.524
flat angles C4'-P-C4' energy: -151.862
flat angles P-C4'-P energy: -106.096
tors. eta vs tors. theta energy: -219.735
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: 3, replica: 9
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -2490.881690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2490.881690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2497.226589 (E_RNA)
where:
Base-Base interactions energy: -1734.032
where: short stacking energy: -751.131
Base-Backbone interact. energy: 0.337
local terms energy: -763.532490
where:
bonds (distance) C4'-P energy: -148.034
bonds (distance) P-C4' energy: -124.150
flat angles C4'-P-C4' energy: -156.622
flat angles P-C4'-P energy: -107.563
tors. eta vs tors. theta energy: -227.164
Dist. restrs. and SS energy: 6.345 (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: 66
Temperature: 1.050000
Total energy: -2439.903850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2439.903850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2447.411128 (E_RNA)
where:
Base-Base interactions energy: -1704.498
where: short stacking energy: -728.738
Base-Backbone interact. energy: -3.549
local terms energy: -739.364704
where:
bonds (distance) C4'-P energy: -132.497
bonds (distance) P-C4' energy: -142.437
flat angles C4'-P-C4' energy: -150.554
flat angles P-C4'-P energy: -101.584
tors. eta vs tors. theta energy: -212.293
Dist. restrs. and SS energy: 7.507 (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: 5
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -2373.021858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2373.021858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2385.284041 (E_RNA)
where:
Base-Base interactions energy: -1656.626
where: short stacking energy: -711.743
Base-Backbone interact. energy: -2.430
local terms energy: -726.227641
where:
bonds (distance) C4'-P energy: -112.458
bonds (distance) P-C4' energy: -148.496
flat angles C4'-P-C4' energy: -153.347
flat angles P-C4'-P energy: -103.586
tors. eta vs tors. theta energy: -208.341
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: 7
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -2281.594350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2281.594350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2295.205369 (E_RNA)
where:
Base-Base interactions energy: -1601.977
where: short stacking energy: -664.097
Base-Backbone interact. energy: -2.303
local terms energy: -690.925816
where:
bonds (distance) C4'-P energy: -124.340
bonds (distance) P-C4' energy: -129.947
flat angles C4'-P-C4' energy: -149.922
flat angles P-C4'-P energy: -80.768
tors. eta vs tors. theta energy: -205.949
Dist. restrs. and SS energy: 13.611 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -2192.373973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2192.373973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2209.874484 (E_RNA)
where:
Base-Base interactions energy: -1571.127
where: short stacking energy: -656.173
Base-Backbone interact. energy: -1.882
local terms energy: -636.865940
where:
bonds (distance) C4'-P energy: -120.739
bonds (distance) P-C4' energy: -101.941
flat angles C4'-P-C4' energy: -142.627
flat angles P-C4'-P energy: -96.549
tors. eta vs tors. theta energy: -175.010
Dist. restrs. and SS energy: 17.501 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -2109.210618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2109.210618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2122.941035 (E_RNA)
where:
Base-Base interactions energy: -1483.291
where: short stacking energy: -607.349
Base-Backbone interact. energy: 0.931
local terms energy: -640.580651
where:
bonds (distance) C4'-P energy: -113.566
bonds (distance) P-C4' energy: -135.979
flat angles C4'-P-C4' energy: -128.249
flat angles P-C4'-P energy: -87.551
tors. eta vs tors. theta energy: -175.236
Dist. restrs. and SS energy: 13.730 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -2045.223783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2045.223783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2057.646494 (E_RNA)
where:
Base-Base interactions energy: -1435.548
where: short stacking energy: -604.321
Base-Backbone interact. energy: -1.275
local terms energy: -620.823441
where:
bonds (distance) C4'-P energy: -110.880
bonds (distance) P-C4' energy: -119.881
flat angles C4'-P-C4' energy: -140.964
flat angles P-C4'-P energy: -91.251
tors. eta vs tors. theta energy: -157.848
Dist. restrs. and SS energy: 12.423 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -1822.773677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.773677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.185303 (E_RNA)
where:
Base-Base interactions energy: -1303.607
where: short stacking energy: -534.941
Base-Backbone interact. energy: -1.546
local terms energy: -545.032216
where:
bonds (distance) C4'-P energy: -106.431
bonds (distance) P-C4' energy: -104.917
flat angles C4'-P-C4' energy: -119.184
flat angles P-C4'-P energy: -74.979
tors. eta vs tors. theta energy: -139.522
Dist. restrs. and SS energy: 27.412 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -2674.792522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2674.792522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2680.576664 (E_RNA)
where:
Base-Base interactions energy: -1852.179
where: short stacking energy: -788.154
Base-Backbone interact. energy: -3.513
local terms energy: -824.884780
where:
bonds (distance) C4'-P energy: -137.007
bonds (distance) P-C4' energy: -159.448
flat angles C4'-P-C4' energy: -175.100
flat angles P-C4'-P energy: -115.136
tors. eta vs tors. theta energy: -238.194
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: 2, replica: 2
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -2590.197418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2590.197418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2597.191218 (E_RNA)
where:
Base-Base interactions energy: -1837.370
where: short stacking energy: -772.459
Base-Backbone interact. energy: -3.704
local terms energy: -756.117683
where:
bonds (distance) C4'-P energy: -131.203
bonds (distance) P-C4' energy: -139.912
flat angles C4'-P-C4' energy: -164.801
flat angles P-C4'-P energy: -107.731
tors. eta vs tors. theta energy: -212.470
Dist. restrs. and SS energy: 6.994 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -2498.980321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2498.980321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2505.066570 (E_RNA)
where:
Base-Base interactions energy: -1733.270
where: short stacking energy: -745.192
Base-Backbone interact. energy: -1.703
local terms energy: -770.093683
where:
bonds (distance) C4'-P energy: -127.686
bonds (distance) P-C4' energy: -155.506
flat angles C4'-P-C4' energy: -153.767
flat angles P-C4'-P energy: -93.810
tors. eta vs tors. theta energy: -239.324
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: 8
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -2453.361523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2453.361523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2461.013850 (E_RNA)
where:
Base-Base interactions energy: -1729.960
where: short stacking energy: -727.417
Base-Backbone interact. energy: -0.326
local terms energy: -730.728570
where:
bonds (distance) C4'-P energy: -126.545
bonds (distance) P-C4' energy: -137.986
flat angles C4'-P-C4' energy: -150.693
flat angles P-C4'-P energy: -101.215
tors. eta vs tors. theta energy: -214.291
Dist. restrs. and SS energy: 7.652 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -2316.050554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2316.050554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2327.086991 (E_RNA)
where:
Base-Base interactions energy: -1631.828
where: short stacking energy: -655.434
Base-Backbone interact. energy: 1.714
local terms energy: -696.972418
where:
bonds (distance) C4'-P energy: -125.895
bonds (distance) P-C4' energy: -127.295
flat angles C4'-P-C4' energy: -155.898
flat angles P-C4'-P energy: -94.437
tors. eta vs tors. theta energy: -193.448
Dist. restrs. and SS energy: 11.036 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -2321.520599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2321.520599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2337.433607 (E_RNA)
where:
Base-Base interactions energy: -1651.804
where: short stacking energy: -697.768
Base-Backbone interact. energy: -1.229
local terms energy: -684.400791
where:
bonds (distance) C4'-P energy: -109.597
bonds (distance) P-C4' energy: -127.568
flat angles C4'-P-C4' energy: -154.842
flat angles P-C4'-P energy: -89.547
tors. eta vs tors. theta energy: -202.847
Dist. restrs. and SS energy: 15.913 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -2208.537246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2208.537246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2229.536865 (E_RNA)
where:
Base-Base interactions energy: -1551.818
where: short stacking energy: -648.720
Base-Backbone interact. energy: -2.196
local terms energy: -675.522293
where:
bonds (distance) C4'-P energy: -109.450
bonds (distance) P-C4' energy: -131.750
flat angles C4'-P-C4' energy: -143.178
flat angles P-C4'-P energy: -98.809
tors. eta vs tors. theta energy: -192.335
Dist. restrs. and SS energy: 21.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -2092.774056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2092.774056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2109.487657 (E_RNA)
where:
Base-Base interactions energy: -1472.155
where: short stacking energy: -610.877
Base-Backbone interact. energy: -2.479
local terms energy: -634.852807
where:
bonds (distance) C4'-P energy: -113.869
bonds (distance) P-C4' energy: -114.205
flat angles C4'-P-C4' energy: -133.334
flat angles P-C4'-P energy: -99.016
tors. eta vs tors. theta energy: -174.429
Dist. restrs. and SS energy: 16.714 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -1976.875284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1976.875284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.271845 (E_RNA)
where:
Base-Base interactions energy: -1384.775
where: short stacking energy: -596.623
Base-Backbone interact. energy: 2.362
local terms energy: -613.859180
where:
bonds (distance) C4'-P energy: -124.083
bonds (distance) P-C4' energy: -99.668
flat angles C4'-P-C4' energy: -143.159
flat angles P-C4'-P energy: -75.822
tors. eta vs tors. theta energy: -171.127
Dist. restrs. and SS energy: 19.397 (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: 1
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -1903.620335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1903.620335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.926297 (E_RNA)
where:
Base-Base interactions energy: -1359.096
where: short stacking energy: -554.661
Base-Backbone interact. energy: -1.183
local terms energy: -557.647275
where:
bonds (distance) C4'-P energy: -97.767
bonds (distance) P-C4' energy: -104.992
flat angles C4'-P-C4' energy: -123.284
flat angles P-C4'-P energy: -72.113
tors. eta vs tors. theta energy: -159.491
Dist. restrs. and SS energy: 14.306 (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: 10
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -2726.383409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2726.383409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2731.334931 (E_RNA)
where:
Base-Base interactions energy: -1916.124
where: short stacking energy: -806.364
Base-Backbone interact. energy: -4.750
local terms energy: -810.460810
where:
bonds (distance) C4'-P energy: -137.219
bonds (distance) P-C4' energy: -142.636
flat angles C4'-P-C4' energy: -167.934
flat angles P-C4'-P energy: -122.753
tors. eta vs tors. theta energy: -239.918
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: 2, replica: 2
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -2607.946281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2607.946281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2614.815391 (E_RNA)
where:
Base-Base interactions energy: -1838.824
where: short stacking energy: -777.038
Base-Backbone interact. energy: 1.465
local terms energy: -777.456770
where:
bonds (distance) C4'-P energy: -136.539
bonds (distance) P-C4' energy: -145.914
flat angles C4'-P-C4' energy: -147.551
flat angles P-C4'-P energy: -123.230
tors. eta vs tors. theta energy: -224.223
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: 3, replica: 8
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -2491.020832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2491.020832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2496.816653 (E_RNA)
where:
Base-Base interactions energy: -1738.796
where: short stacking energy: -734.894
Base-Backbone interact. energy: -4.067
local terms energy: -753.953285
where:
bonds (distance) C4'-P energy: -136.546
bonds (distance) P-C4' energy: -132.320
flat angles C4'-P-C4' energy: -168.397
flat angles P-C4'-P energy: -92.327
tors. eta vs tors. theta energy: -224.364
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: 4, replica: 9
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -2419.605446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2419.605446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2427.863043 (E_RNA)
where:
Base-Base interactions energy: -1678.705
where: short stacking energy: -711.633
Base-Backbone interact. energy: -0.175
local terms energy: -748.983288
where:
bonds (distance) C4'-P energy: -116.131
bonds (distance) P-C4' energy: -144.693
flat angles C4'-P-C4' energy: -164.050
flat angles P-C4'-P energy: -101.130
tors. eta vs tors. theta energy: -222.979
Dist. restrs. and SS energy: 8.258 (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: 5
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -2319.366931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2319.366931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2327.271521 (E_RNA)
where:
Base-Base interactions energy: -1643.083
where: short stacking energy: -663.955
Base-Backbone interact. energy: 1.352
local terms energy: -685.540244
where:
bonds (distance) C4'-P energy: -125.686
bonds (distance) P-C4' energy: -121.592
flat angles C4'-P-C4' energy: -146.068
flat angles P-C4'-P energy: -101.282
tors. eta vs tors. theta energy: -190.913
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: 6, replica: 7
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -2326.922491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2326.922491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2337.762245 (E_RNA)
where:
Base-Base interactions energy: -1648.436
where: short stacking energy: -685.229
Base-Backbone interact. energy: -3.331
local terms energy: -685.995032
where:
bonds (distance) C4'-P energy: -120.633
bonds (distance) P-C4' energy: -134.473
flat angles C4'-P-C4' energy: -141.895
flat angles P-C4'-P energy: -91.095
tors. eta vs tors. theta energy: -197.898
Dist. restrs. and SS energy: 10.840 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -2163.002313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2163.002313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2178.019705 (E_RNA)
where:
Base-Base interactions energy: -1527.662
where: short stacking energy: -626.061
Base-Backbone interact. energy: 3.054
local terms energy: -653.411778
where:
bonds (distance) C4'-P energy: -120.233
bonds (distance) P-C4' energy: -112.575
flat angles C4'-P-C4' energy: -139.642
flat angles P-C4'-P energy: -96.726
tors. eta vs tors. theta energy: -184.235
Dist. restrs. and SS energy: 15.017 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -2101.312528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2101.312528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2120.608493 (E_RNA)
where:
Base-Base interactions energy: -1481.031
where: short stacking energy: -615.763
Base-Backbone interact. energy: 3.677
local terms energy: -643.254275
where:
bonds (distance) C4'-P energy: -111.009
bonds (distance) P-C4' energy: -100.284
flat angles C4'-P-C4' energy: -145.096
flat angles P-C4'-P energy: -94.771
tors. eta vs tors. theta energy: -192.095
Dist. restrs. and SS energy: 19.296 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -1976.780699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1976.780699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1995.429343 (E_RNA)
where:
Base-Base interactions energy: -1392.174
where: short stacking energy: -571.356
Base-Backbone interact. energy: -2.036
local terms energy: -601.219568
where:
bonds (distance) C4'-P energy: -113.494
bonds (distance) P-C4' energy: -117.125
flat angles C4'-P-C4' energy: -139.152
flat angles P-C4'-P energy: -76.322
tors. eta vs tors. theta energy: -155.128
Dist. restrs. and SS energy: 18.649 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -1893.118094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.118094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1910.009987 (E_RNA)
where:
Base-Base interactions energy: -1347.064
where: short stacking energy: -531.189
Base-Backbone interact. energy: -2.900
local terms energy: -560.046004
where:
bonds (distance) C4'-P energy: -97.603
bonds (distance) P-C4' energy: -120.098
flat angles C4'-P-C4' energy: -132.473
flat angles P-C4'-P energy: -60.916
tors. eta vs tors. theta energy: -148.956
Dist. restrs. and SS energy: 16.892 (S_DIST_RNA)
chem. 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: -2677.397492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2677.397492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2685.559580 (E_RNA)
where:
Base-Base interactions energy: -1875.134
where: short stacking energy: -786.422
Base-Backbone interact. energy: -1.302
local terms energy: -809.124011
where:
bonds (distance) C4'-P energy: -142.371
bonds (distance) P-C4' energy: -137.254
flat angles C4'-P-C4' energy: -180.442
flat angles P-C4'-P energy: -118.709
tors. eta vs tors. theta energy: -230.348
Dist. restrs. and SS energy: 8.162 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -2597.366621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2597.366621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2603.353612 (E_RNA)
where:
Base-Base interactions energy: -1824.480
where: short stacking energy: -777.262
Base-Backbone interact. energy: -5.420
local terms energy: -773.454191
where:
bonds (distance) C4'-P energy: -133.321
bonds (distance) P-C4' energy: -141.728
flat angles C4'-P-C4' energy: -163.613
flat angles P-C4'-P energy: -107.171
tors. eta vs tors. theta energy: -227.621
Dist. restrs. and SS energy: 5.987 (S_DIST_RNA)
chem. 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: -2494.967460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2494.967460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2502.696361 (E_RNA)
where:
Base-Base interactions energy: -1726.657
where: short stacking energy: -702.955
Base-Backbone interact. energy: -4.337
local terms energy: -771.701929
where:
bonds (distance) C4'-P energy: -133.878
bonds (distance) P-C4' energy: -144.802
flat angles C4'-P-C4' energy: -160.629
flat angles P-C4'-P energy: -116.088
tors. eta vs tors. theta energy: -216.305
Dist. restrs. and SS energy: 7.729 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -2396.731354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2396.731354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2406.059835 (E_RNA)
where:
Base-Base interactions energy: -1669.270
where: short stacking energy: -727.333
Base-Backbone interact. energy: -2.429
local terms energy: -734.361006
where:
bonds (distance) C4'-P energy: -123.942
bonds (distance) P-C4' energy: -138.066
flat angles C4'-P-C4' energy: -156.282
flat angles P-C4'-P energy: -100.891
tors. eta vs tors. theta energy: -215.180
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: 5, replica: 5
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -2332.722605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2332.722605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2344.176169 (E_RNA)
where:
Base-Base interactions energy: -1646.979
where: short stacking energy: -690.002
Base-Backbone interact. energy: -4.219
local terms energy: -692.978394
where:
bonds (distance) C4'-P energy: -116.025
bonds (distance) P-C4' energy: -134.284
flat angles C4'-P-C4' energy: -149.658
flat angles P-C4'-P energy: -96.414
tors. eta vs tors. theta energy: -196.598
Dist. restrs. and SS energy: 11.454 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -2246.277548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2246.277548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2262.820818 (E_RNA)
where:
Base-Base interactions energy: -1573.611
where: short stacking energy: -661.717
Base-Backbone interact. energy: -2.813
local terms energy: -686.396668
where:
bonds (distance) C4'-P energy: -122.499
bonds (distance) P-C4' energy: -127.389
flat angles C4'-P-C4' energy: -147.675
flat angles P-C4'-P energy: -97.417
tors. eta vs tors. theta energy: -191.416
Dist. restrs. and SS energy: 16.543 (S_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: -2130.970279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2130.970279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2152.157069 (E_RNA)
where:
Base-Base interactions energy: -1491.120
where: short stacking energy: -629.243
Base-Backbone interact. energy: 2.436
local terms energy: -663.472358
where:
bonds (distance) C4'-P energy: -130.315
bonds (distance) P-C4' energy: -127.868
flat angles C4'-P-C4' energy: -143.215
flat angles P-C4'-P energy: -75.168
tors. eta vs tors. theta energy: -186.906
Dist. restrs. and SS energy: 21.187 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -2107.353476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2107.353476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2122.761995 (E_RNA)
where:
Base-Base interactions energy: -1500.712
where: short stacking energy: -620.373
Base-Backbone interact. energy: -2.672
local terms energy: -619.377867
where:
bonds (distance) C4'-P energy: -108.517
bonds (distance) P-C4' energy: -103.863
flat angles C4'-P-C4' energy: -128.304
flat angles P-C4'-P energy: -93.911
tors. eta vs tors. theta energy: -184.783
Dist. restrs. and SS energy: 15.409 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -1964.995504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.995504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1978.031613 (E_RNA)
where:
Base-Base interactions energy: -1379.861
where: short stacking energy: -548.098
Base-Backbone interact. energy: 1.899
local terms energy: -600.069775
where:
bonds (distance) C4'-P energy: -108.685
bonds (distance) P-C4' energy: -109.085
flat angles C4'-P-C4' energy: -145.809
flat angles P-C4'-P energy: -76.044
tors. eta vs tors. theta energy: -160.447
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: 10, replica: 1
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -1896.355065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1896.355065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.965557 (E_RNA)
where:
Base-Base interactions energy: -1352.940
where: short stacking energy: -535.946
Base-Backbone interact. energy: 1.189
local terms energy: -561.214596
where:
bonds (distance) C4'-P energy: -88.061
bonds (distance) P-C4' energy: -116.584
flat angles C4'-P-C4' energy: -117.372
flat angles P-C4'-P energy: -68.056
tors. eta vs tors. theta energy: -171.143
Dist. restrs. and SS energy: 16.610 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -2676.669368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2676.669368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2682.409872 (E_RNA)
where:
Base-Base interactions energy: -1875.321
where: short stacking energy: -788.320
Base-Backbone interact. energy: 1.250
local terms energy: -808.338767
where:
bonds (distance) C4'-P energy: -141.143
bonds (distance) P-C4' energy: -144.443
flat angles C4'-P-C4' energy: -164.673
flat angles P-C4'-P energy: -123.218
tors. eta vs tors. theta energy: -234.861
Dist. restrs. and SS energy: 5.741 (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: 2
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -2615.425749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2615.425749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2619.285156 (E_RNA)
where:
Base-Base interactions energy: -1815.828
where: short stacking energy: -794.128
Base-Backbone interact. energy: -2.126
local terms energy: -801.331651
where:
bonds (distance) C4'-P energy: -150.399
bonds (distance) P-C4' energy: -128.079
flat angles C4'-P-C4' energy: -177.233
flat angles P-C4'-P energy: -108.238
tors. eta vs tors. theta energy: -237.382
Dist. restrs. and SS energy: 3.859 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -2501.590431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2501.590431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2507.027447 (E_RNA)
where:
Base-Base interactions energy: -1768.075
where: short stacking energy: -753.781
Base-Backbone interact. energy: -4.319
local terms energy: -734.633524
where:
bonds (distance) C4'-P energy: -127.350
bonds (distance) P-C4' energy: -139.373
flat angles C4'-P-C4' energy: -140.994
flat angles P-C4'-P energy: -112.095
tors. eta vs tors. theta energy: -214.820
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: 4, replica: 9
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -2439.411589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2439.411589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2447.738175 (E_RNA)
where:
Base-Base interactions energy: -1699.321
where: short stacking energy: -747.151
Base-Backbone interact. energy: -1.720
local terms energy: -746.696702
where:
bonds (distance) C4'-P energy: -134.573
bonds (distance) P-C4' energy: -142.365
flat angles C4'-P-C4' energy: -152.945
flat angles P-C4'-P energy: -100.767
tors. eta vs tors. theta energy: -216.047
Dist. restrs. and SS energy: 8.327 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -2320.142979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2320.142979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2333.128391 (E_RNA)
where:
Base-Base interactions energy: -1625.100
where: short stacking energy: -679.902
Base-Backbone interact. energy: -2.511
local terms energy: -705.516770
where:
bonds (distance) C4'-P energy: -125.700
bonds (distance) P-C4' energy: -133.781
flat angles C4'-P-C4' energy: -155.011
flat angles P-C4'-P energy: -96.335
tors. eta vs tors. theta energy: -194.690
Dist. restrs. and SS energy: 12.985 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -2287.255445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2287.255445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2300.291125 (E_RNA)
where:
Base-Base interactions energy: -1619.926
where: short stacking energy: -681.657
Base-Backbone interact. energy: -1.823
local terms energy: -678.542158
where:
bonds (distance) C4'-P energy: -121.739
bonds (distance) P-C4' energy: -108.341
flat angles C4'-P-C4' energy: -136.278
flat angles P-C4'-P energy: -102.303
tors. eta vs tors. theta energy: -209.882
Dist. restrs. and SS energy: 13.036 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -2184.061669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2184.061669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2203.798023 (E_RNA)
where:
Base-Base interactions energy: -1546.911
where: short stacking energy: -656.140
Base-Backbone interact. energy: 4.652
local terms energy: -661.539091
where:
bonds (distance) C4'-P energy: -110.660
bonds (distance) P-C4' energy: -128.938
flat angles C4'-P-C4' energy: -139.128
flat angles P-C4'-P energy: -84.476
tors. eta vs tors. theta energy: -198.337
Dist. restrs. and SS energy: 19.736 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -2060.027167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2060.027167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2074.817429 (E_RNA)
where:
Base-Base interactions energy: -1435.235
where: short stacking energy: -620.479
Base-Backbone interact. energy: -1.997
local terms energy: -637.585063
where:
bonds (distance) C4'-P energy: -117.020
bonds (distance) P-C4' energy: -127.179
flat angles C4'-P-C4' energy: -136.171
flat angles P-C4'-P energy: -94.576
tors. eta vs tors. theta energy: -162.639
Dist. restrs. and SS energy: 14.790 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -2016.966928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2016.966928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2032.546469 (E_RNA)
where:
Base-Base interactions energy: -1401.406
where: short stacking energy: -603.337
Base-Backbone interact. energy: -2.186
local terms energy: -628.954371
where:
bonds (distance) C4'-P energy: -108.032
bonds (distance) P-C4' energy: -124.614
flat angles C4'-P-C4' energy: -133.732
flat angles P-C4'-P energy: -94.664
tors. eta vs tors. theta energy: -167.911
Dist. restrs. and SS energy: 15.580 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -1925.833771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.833771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.924710 (E_RNA)
where:
Base-Base interactions energy: -1345.676
where: short stacking energy: -558.064
Base-Backbone interact. energy: -2.115
local terms energy: -594.133082
where:
bonds (distance) C4'-P energy: -106.942
bonds (distance) P-C4' energy: -120.168
flat angles C4'-P-C4' energy: -129.933
flat angles P-C4'-P energy: -81.728
tors. eta vs tors. theta energy: -155.361
Dist. restrs. and SS energy: 16.091 (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: 10
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -2649.699882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2649.699882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2655.549497 (E_RNA)
where:
Base-Base interactions energy: -1864.466
where: short stacking energy: -789.858
Base-Backbone interact. energy: 2.368
local terms energy: -793.451393
where:
bonds (distance) C4'-P energy: -137.516
bonds (distance) P-C4' energy: -140.718
flat angles C4'-P-C4' energy: -169.240
flat angles P-C4'-P energy: -108.761
tors. eta vs tors. theta energy: -237.216
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: 2
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -2597.820857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2597.820857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2604.045895 (E_RNA)
where:
Base-Base interactions energy: -1854.245
where: short stacking energy: -799.327
Base-Backbone interact. energy: -0.170
local terms energy: -749.630789
where:
bonds (distance) C4'-P energy: -113.985
bonds (distance) P-C4' energy: -137.789
flat angles C4'-P-C4' energy: -158.495
flat angles P-C4'-P energy: -99.477
tors. eta vs tors. theta energy: -239.885
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: 3, replica: 8
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -2501.118473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2501.118473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2507.788342 (E_RNA)
where:
Base-Base interactions energy: -1724.856
where: short stacking energy: -758.366
Base-Backbone interact. energy: -3.642
local terms energy: -779.290944
where:
bonds (distance) C4'-P energy: -123.673
bonds (distance) P-C4' energy: -152.184
flat angles C4'-P-C4' energy: -156.204
flat angles P-C4'-P energy: -119.322
tors. eta vs tors. theta energy: -227.909
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: 4, replica: 9
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -2392.577538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2392.577538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2403.049895 (E_RNA)
where:
Base-Base interactions energy: -1676.340
where: short stacking energy: -723.735
Base-Backbone interact. energy: -2.560
local terms energy: -724.150165
where:
bonds (distance) C4'-P energy: -137.445
bonds (distance) P-C4' energy: -135.276
flat angles C4'-P-C4' energy: -156.573
flat angles P-C4'-P energy: -87.946
tors. eta vs tors. theta energy: -206.911
Dist. restrs. and SS energy: 10.472 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -2305.223225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2305.223225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2321.465243 (E_RNA)
where:
Base-Base interactions energy: -1623.938
where: short stacking energy: -685.533
Base-Backbone interact. energy: 0.951
local terms energy: -698.478641
where:
bonds (distance) C4'-P energy: -130.336
bonds (distance) P-C4' energy: -118.896
flat angles C4'-P-C4' energy: -160.006
flat angles P-C4'-P energy: -90.456
tors. eta vs tors. theta energy: -198.784
Dist. restrs. and SS energy: 16.242 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -2297.587408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2297.587408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2306.724259 (E_RNA)
where:
Base-Base interactions energy: -1609.930
where: short stacking energy: -729.462
Base-Backbone interact. energy: -1.497
local terms energy: -695.297468
where:
bonds (distance) C4'-P energy: -116.859
bonds (distance) P-C4' energy: -139.427
flat angles C4'-P-C4' energy: -145.452
flat angles P-C4'-P energy: -90.543
tors. eta vs tors. theta energy: -203.017
Dist. restrs. and SS energy: 9.137 (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: 71
Temperature: 1.200000
Total energy: -2167.997814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2167.997814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2184.867959 (E_RNA)
where:
Base-Base interactions energy: -1518.384
where: short stacking energy: -613.181
Base-Backbone interact. energy: -2.104
local terms energy: -664.379948
where:
bonds (distance) C4'-P energy: -130.494
bonds (distance) P-C4' energy: -117.754
flat angles C4'-P-C4' energy: -134.073
flat angles P-C4'-P energy: -93.816
tors. eta vs tors. theta energy: -188.243
Dist. restrs. and SS energy: 16.870 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -2064.050019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2064.050019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2077.117158 (E_RNA)
where:
Base-Base interactions energy: -1469.951
where: short stacking energy: -634.930
Base-Backbone interact. energy: 3.483
local terms energy: -610.648540
where:
bonds (distance) C4'-P energy: -111.227
bonds (distance) P-C4' energy: -104.242
flat angles C4'-P-C4' energy: -133.586
flat angles P-C4'-P energy: -84.764
tors. eta vs tors. theta energy: -176.829
Dist. restrs. and SS energy: 13.067 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -2025.889684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2025.889684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2040.896827 (E_RNA)
where:
Base-Base interactions energy: -1407.379
where: short stacking energy: -592.501
Base-Backbone interact. energy: 1.065
local terms energy: -634.583313
where:
bonds (distance) C4'-P energy: -118.664
bonds (distance) P-C4' energy: -123.438
flat angles C4'-P-C4' energy: -134.982
flat angles P-C4'-P energy: -81.060
tors. eta vs tors. theta energy: -176.440
Dist. restrs. and SS energy: 15.007 (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: 1
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -1935.974832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1935.974832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.245941 (E_RNA)
where:
Base-Base interactions energy: -1354.349
where: short stacking energy: -564.182
Base-Backbone interact. energy: -0.541
local terms energy: -603.356554
where:
bonds (distance) C4'-P energy: -127.803
bonds (distance) P-C4' energy: -102.366
flat angles C4'-P-C4' energy: -129.584
flat angles P-C4'-P energy: -79.096
tors. eta vs tors. theta energy: -164.508
Dist. restrs. and SS energy: 22.271 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -2684.573473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2684.573473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2691.967153 (E_RNA)
where:
Base-Base interactions energy: -1865.327
where: short stacking energy: -774.907
Base-Backbone interact. energy: -3.582
local terms energy: -823.058270
where:
bonds (distance) C4'-P energy: -137.059
bonds (distance) P-C4' energy: -153.057
flat angles C4'-P-C4' energy: -174.369
flat angles P-C4'-P energy: -120.658
tors. eta vs tors. theta energy: -237.916
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: 2, replica: 2
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -2585.805547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2585.805547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2591.408664 (E_RNA)
where:
Base-Base interactions energy: -1790.151
where: short stacking energy: -780.869
Base-Backbone interact. energy: 0.400
local terms energy: -801.658107
where:
bonds (distance) C4'-P energy: -124.837
bonds (distance) P-C4' energy: -152.060
flat angles C4'-P-C4' energy: -173.446
flat angles P-C4'-P energy: -121.207
tors. eta vs tors. theta energy: -230.108
Dist. restrs. and SS energy: 5.603 (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: 8
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -2544.611154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2544.611154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2551.629861 (E_RNA)
where:
Base-Base interactions energy: -1802.494
where: short stacking energy: -764.567
Base-Backbone interact. energy: -2.549
local terms energy: -746.586371
where:
bonds (distance) C4'-P energy: -135.526
bonds (distance) P-C4' energy: -125.863
flat angles C4'-P-C4' energy: -155.598
flat angles P-C4'-P energy: -104.168
tors. eta vs tors. theta energy: -225.432
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: 72
Temperature: 1.050000
Total energy: -2417.526774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2417.526774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2427.683808 (E_RNA)
where:
Base-Base interactions energy: -1656.757
where: short stacking energy: -716.239
Base-Backbone interact. energy: -0.637
local terms energy: -770.289850
where:
bonds (distance) C4'-P energy: -140.179
bonds (distance) P-C4' energy: -144.307
flat angles C4'-P-C4' energy: -164.882
flat angles P-C4'-P energy: -110.333
tors. eta vs tors. theta energy: -210.588
Dist. restrs. and SS energy: 10.157 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -2363.703274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2363.703274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2375.570497 (E_RNA)
where:
Base-Base interactions energy: -1659.256
where: short stacking energy: -705.822
Base-Backbone interact. energy: -1.158
local terms energy: -715.155879
where:
bonds (distance) C4'-P energy: -117.996
bonds (distance) P-C4' energy: -128.295
flat angles C4'-P-C4' energy: -159.294
flat angles P-C4'-P energy: -99.306
tors. eta vs tors. theta energy: -210.264
Dist. restrs. and SS energy: 11.867 (S_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: 72
Temperature: 1.150000
Total energy: -2268.898489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2268.898489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2279.006783 (E_RNA)
where:
Base-Base interactions energy: -1631.616
where: short stacking energy: -694.910
Base-Backbone interact. energy: -1.840
local terms energy: -645.550378
where:
bonds (distance) C4'-P energy: -117.719
bonds (distance) P-C4' energy: -100.144
flat angles C4'-P-C4' energy: -139.224
flat angles P-C4'-P energy: -102.715
tors. eta vs tors. theta energy: -185.748
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: 7, replica: 3
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -2136.634368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2136.634368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2152.430843 (E_RNA)
where:
Base-Base interactions energy: -1528.206
where: short stacking energy: -649.124
Base-Backbone interact. energy: -1.478
local terms energy: -622.746384
where:
bonds (distance) C4'-P energy: -109.064
bonds (distance) P-C4' energy: -99.598
flat angles C4'-P-C4' energy: -147.959
flat angles P-C4'-P energy: -84.263
tors. eta vs tors. theta energy: -181.862
Dist. restrs. and SS energy: 15.796 (S_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: 72
Temperature: 1.250000
Total energy: -2111.862611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2111.862611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2129.615940 (E_RNA)
where:
Base-Base interactions energy: -1514.283
where: short stacking energy: -652.214
Base-Backbone interact. energy: -0.841
local terms energy: -614.491748
where:
bonds (distance) C4'-P energy: -113.341
bonds (distance) P-C4' energy: -104.592
flat angles C4'-P-C4' energy: -131.234
flat angles P-C4'-P energy: -79.938
tors. eta vs tors. theta energy: -185.387
Dist. restrs. and SS energy: 17.753 (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: 4
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -1991.818565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1991.818565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2018.386023 (E_RNA)
where:
Base-Base interactions energy: -1361.144
where: short stacking energy: -582.270
Base-Backbone interact. energy: -3.472
local terms energy: -653.770116
where:
bonds (distance) C4'-P energy: -130.289
bonds (distance) P-C4' energy: -129.024
flat angles C4'-P-C4' energy: -131.917
flat angles P-C4'-P energy: -97.504
tors. eta vs tors. theta energy: -165.036
Dist. restrs. and SS energy: 26.567 (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: 1
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -1958.974253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1958.974253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1977.211102 (E_RNA)
where:
Base-Base interactions energy: -1381.617
where: short stacking energy: -581.271
Base-Backbone interact. energy: -1.974
local terms energy: -593.619226
where:
bonds (distance) C4'-P energy: -107.091
bonds (distance) P-C4' energy: -120.012
flat angles C4'-P-C4' energy: -116.180
flat angles P-C4'-P energy: -80.707
tors. eta vs tors. theta energy: -169.629
Dist. restrs. and SS energy: 18.237 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -2694.186614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2694.186614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2700.294046 (E_RNA)
where:
Base-Base interactions energy: -1870.862
where: short stacking energy: -802.282
Base-Backbone interact. energy: -5.216
local terms energy: -824.216326
where:
bonds (distance) C4'-P energy: -149.616
bonds (distance) P-C4' energy: -155.311
flat angles C4'-P-C4' energy: -166.348
flat angles P-C4'-P energy: -115.695
tors. eta vs tors. theta energy: -237.246
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: 2, replica: 2
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -2591.009555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2591.009555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2596.868137 (E_RNA)
where:
Base-Base interactions energy: -1789.940
where: short stacking energy: -772.827
Base-Backbone interact. energy: -3.859
local terms energy: -803.068241
where:
bonds (distance) C4'-P energy: -149.707
bonds (distance) P-C4' energy: -150.752
flat angles C4'-P-C4' energy: -161.856
flat angles P-C4'-P energy: -112.824
tors. eta vs tors. theta energy: -227.929
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: 3, replica: 8
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -2529.066926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2529.066926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2531.944117 (E_RNA)
where:
Base-Base interactions energy: -1774.927
where: short stacking energy: -756.310
Base-Backbone interact. energy: -2.226
local terms energy: -754.791568
where:
bonds (distance) C4'-P energy: -122.753
bonds (distance) P-C4' energy: -136.048
flat angles C4'-P-C4' energy: -163.443
flat angles P-C4'-P energy: -109.197
tors. eta vs tors. theta energy: -223.351
Dist. restrs. and SS energy: 2.877 (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: 7
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -2427.245893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2427.245893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2439.370186 (E_RNA)
where:
Base-Base interactions energy: -1683.030
where: short stacking energy: -720.960
Base-Backbone interact. energy: -2.048
local terms energy: -754.291852
where:
bonds (distance) C4'-P energy: -141.237
bonds (distance) P-C4' energy: -142.551
flat angles C4'-P-C4' energy: -164.866
flat angles P-C4'-P energy: -93.785
tors. eta vs tors. theta energy: -211.852
Dist. restrs. and SS energy: 12.124 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -2350.208920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2350.208920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2360.226895 (E_RNA)
where:
Base-Base interactions energy: -1657.503
where: short stacking energy: -708.070
Base-Backbone interact. energy: 0.510
local terms energy: -703.233743
where:
bonds (distance) C4'-P energy: -125.055
bonds (distance) P-C4' energy: -120.759
flat angles C4'-P-C4' energy: -151.632
flat angles P-C4'-P energy: -88.975
tors. eta vs tors. theta energy: -216.812
Dist. restrs. and SS energy: 10.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -2269.469150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2269.469150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2281.086493 (E_RNA)
where:
Base-Base interactions energy: -1586.770
where: short stacking energy: -669.077
Base-Backbone interact. energy: -2.733
local terms energy: -691.583529
where:
bonds (distance) C4'-P energy: -126.321
bonds (distance) P-C4' energy: -127.994
flat angles C4'-P-C4' energy: -148.480
flat angles P-C4'-P energy: -103.539
tors. eta vs tors. theta energy: -185.249
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: 7, replica: 3
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -2163.382835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2163.382835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2179.364000 (E_RNA)
where:
Base-Base interactions energy: -1513.570
where: short stacking energy: -631.393
Base-Backbone interact. energy: 11.443
local terms energy: -677.236681
where:
bonds (distance) C4'-P energy: -124.094
bonds (distance) P-C4' energy: -128.227
flat angles C4'-P-C4' energy: -145.626
flat angles P-C4'-P energy: -90.728
tors. eta vs tors. theta energy: -188.563
Dist. restrs. and SS energy: 15.981 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -2104.930222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2104.930222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2126.432364 (E_RNA)
where:
Base-Base interactions energy: -1475.143
where: short stacking energy: -626.976
Base-Backbone interact. energy: 1.900
local terms energy: -653.189630
where:
bonds (distance) C4'-P energy: -107.149
bonds (distance) P-C4' energy: -121.801
flat angles C4'-P-C4' energy: -144.224
flat angles P-C4'-P energy: -91.959
tors. eta vs tors. theta energy: -188.056
Dist. restrs. and SS energy: 21.502 (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: 4
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -2049.490255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2049.490255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2060.724421 (E_RNA)
where:
Base-Base interactions energy: -1477.361
where: short stacking energy: -613.417
Base-Backbone interact. energy: -0.260
local terms energy: -583.103543
where:
bonds (distance) C4'-P energy: -113.648
bonds (distance) P-C4' energy: -107.172
flat angles C4'-P-C4' energy: -133.159
flat angles P-C4'-P energy: -63.717
tors. eta vs tors. theta energy: -165.408
Dist. restrs. and SS energy: 11.234 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -1964.823399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.823399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1983.347235 (E_RNA)
where:
Base-Base interactions energy: -1369.984
where: short stacking energy: -586.150
Base-Backbone interact. energy: -0.525
local terms energy: -612.837389
where:
bonds (distance) C4'-P energy: -121.363
bonds (distance) P-C4' energy: -91.763
flat angles C4'-P-C4' energy: -136.194
flat angles P-C4'-P energy: -84.513
tors. eta vs tors. theta energy: -179.006
Dist. restrs. and SS energy: 18.524 (S_DIST_RNA)
chem. 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: -2691.394074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2691.394074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2699.316872 (E_RNA)
where:
Base-Base interactions energy: -1882.616
where: short stacking energy: -785.429
Base-Backbone interact. energy: -5.931
local terms energy: -810.770318
where:
bonds (distance) C4'-P energy: -141.406
bonds (distance) P-C4' energy: -156.124
flat angles C4'-P-C4' energy: -165.858
flat angles P-C4'-P energy: -109.584
tors. eta vs tors. theta energy: -237.799
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: 2, replica: 2
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -2608.938459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2608.938459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2616.172869 (E_RNA)
where:
Base-Base interactions energy: -1838.150
where: short stacking energy: -784.280
Base-Backbone interact. energy: -4.502
local terms energy: -773.520493
where:
bonds (distance) C4'-P energy: -133.400
bonds (distance) P-C4' energy: -137.436
flat angles C4'-P-C4' energy: -169.627
flat angles P-C4'-P energy: -111.565
tors. eta vs tors. theta energy: -221.493
Dist. restrs. and SS energy: 7.234 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -2506.209917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2506.209917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2512.373392 (E_RNA)
where:
Base-Base interactions energy: -1751.918
where: short stacking energy: -737.409
Base-Backbone interact. energy: -4.102
local terms energy: -756.353160
where:
bonds (distance) C4'-P energy: -153.412
bonds (distance) P-C4' energy: -124.711
flat angles C4'-P-C4' energy: -165.742
flat angles P-C4'-P energy: -95.142
tors. eta vs tors. theta energy: -217.346
Dist. restrs. and SS energy: 6.163 (S_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: 74
Temperature: 1.050000
Total energy: -2440.916361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2440.916361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2452.424011 (E_RNA)
where:
Base-Base interactions energy: -1700.829
where: short stacking energy: -708.207
Base-Backbone interact. energy: -4.027
local terms energy: -747.567552
where:
bonds (distance) C4'-P energy: -121.473
bonds (distance) P-C4' energy: -142.482
flat angles C4'-P-C4' energy: -163.113
flat angles P-C4'-P energy: -108.966
tors. eta vs tors. theta energy: -211.534
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: 5, replica: 9
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -2325.227922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2325.227922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2333.300396 (E_RNA)
where:
Base-Base interactions energy: -1629.164
where: short stacking energy: -669.805
Base-Backbone interact. energy: 0.919
local terms energy: -705.055886
where:
bonds (distance) C4'-P energy: -123.504
bonds (distance) P-C4' energy: -128.898
flat angles C4'-P-C4' energy: -148.853
flat angles P-C4'-P energy: -88.480
tors. eta vs tors. theta energy: -215.320
Dist. restrs. and SS energy: 8.072 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -2280.410839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2280.410839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2291.151859 (E_RNA)
where:
Base-Base interactions energy: -1621.868
where: short stacking energy: -682.912
Base-Backbone interact. energy: -3.035
local terms energy: -666.249096
where:
bonds (distance) C4'-P energy: -116.797
bonds (distance) P-C4' energy: -115.512
flat angles C4'-P-C4' energy: -147.162
flat angles P-C4'-P energy: -98.722
tors. eta vs tors. theta energy: -188.056
Dist. restrs. and SS energy: 10.741 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -2165.110234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2165.110234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2186.651104 (E_RNA)
where:
Base-Base interactions energy: -1530.584
where: short stacking energy: -649.329
Base-Backbone interact. energy: -4.935
local terms energy: -651.132321
where:
bonds (distance) C4'-P energy: -111.427
bonds (distance) P-C4' energy: -127.668
flat angles C4'-P-C4' energy: -130.941
flat angles P-C4'-P energy: -92.369
tors. eta vs tors. theta energy: -188.727
Dist. restrs. and SS energy: 21.541 (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: 3
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -2109.152178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2109.152178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2121.908407 (E_RNA)
where:
Base-Base interactions energy: -1490.736
where: short stacking energy: -611.388
Base-Backbone interact. energy: -2.939
local terms energy: -628.233245
where:
bonds (distance) C4'-P energy: -122.278
bonds (distance) P-C4' energy: -142.777
flat angles C4'-P-C4' energy: -121.558
flat angles P-C4'-P energy: -82.659
tors. eta vs tors. theta energy: -158.960
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: 9, replica: 4
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -2006.680144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2006.680144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2021.948447 (E_RNA)
where:
Base-Base interactions energy: -1430.920
where: short stacking energy: -602.546
Base-Backbone interact. energy: 0.074
local terms energy: -591.102445
where:
bonds (distance) C4'-P energy: -109.183
bonds (distance) P-C4' energy: -113.767
flat angles C4'-P-C4' energy: -127.963
flat angles P-C4'-P energy: -64.280
tors. eta vs tors. theta energy: -175.910
Dist. restrs. and SS energy: 15.268 (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: 1
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -1864.402360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.402360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1887.335463 (E_RNA)
where:
Base-Base interactions energy: -1318.630
where: short stacking energy: -555.095
Base-Backbone interact. energy: -3.393
local terms energy: -565.312734
where:
bonds (distance) C4'-P energy: -107.089
bonds (distance) P-C4' energy: -105.376
flat angles C4'-P-C4' energy: -114.701
flat angles P-C4'-P energy: -73.299
tors. eta vs tors. theta energy: -164.849
Dist. restrs. and SS energy: 22.933 (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: 10
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -2673.352560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2673.352560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2680.548340 (E_RNA)
where:
Base-Base interactions energy: -1837.305
where: short stacking energy: -770.098
Base-Backbone interact. energy: -4.345
local terms energy: -838.898511
where:
bonds (distance) C4'-P energy: -141.386
bonds (distance) P-C4' energy: -155.064
flat angles C4'-P-C4' energy: -177.034
flat angles P-C4'-P energy: -128.238
tors. eta vs tors. theta energy: -237.176
Dist. restrs. and SS energy: 7.196 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -2545.611089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2545.611089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2552.201144 (E_RNA)
where:
Base-Base interactions energy: -1775.781
where: short stacking energy: -774.173
Base-Backbone interact. energy: -3.693
local terms energy: -772.726567
where:
bonds (distance) C4'-P energy: -126.282
bonds (distance) P-C4' energy: -142.543
flat angles C4'-P-C4' energy: -173.724
flat angles P-C4'-P energy: -94.815
tors. eta vs tors. theta energy: -235.362
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: 3, replica: 2
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -2539.222873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2539.222873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2549.549147 (E_RNA)
where:
Base-Base interactions energy: -1778.712
where: short stacking energy: -742.762
Base-Backbone interact. energy: -1.008
local terms energy: -769.829941
where:
bonds (distance) C4'-P energy: -128.963
bonds (distance) P-C4' energy: -150.229
flat angles C4'-P-C4' energy: -168.002
flat angles P-C4'-P energy: -109.889
tors. eta vs tors. theta energy: -212.747
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: 7
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -2422.707119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2422.707119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2433.728374 (E_RNA)
where:
Base-Base interactions energy: -1688.660
where: short stacking energy: -712.801
Base-Backbone interact. energy: -3.756
local terms energy: -741.312304
where:
bonds (distance) C4'-P energy: -117.803
bonds (distance) P-C4' energy: -140.469
flat angles C4'-P-C4' energy: -162.905
flat angles P-C4'-P energy: -107.156
tors. eta vs tors. theta energy: -212.980
Dist. restrs. and SS energy: 11.021 (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: 9
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -2355.315620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2355.315620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2360.432395 (E_RNA)
where:
Base-Base interactions energy: -1651.826
where: short stacking energy: -692.709
Base-Backbone interact. energy: -0.362
local terms energy: -708.244724
where:
bonds (distance) C4'-P energy: -122.907
bonds (distance) P-C4' energy: -147.696
flat angles C4'-P-C4' energy: -137.090
flat angles P-C4'-P energy: -93.225
tors. eta vs tors. theta energy: -207.327
Dist. restrs. and SS energy: 5.117 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -2267.979421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2267.979421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2281.525889 (E_RNA)
where:
Base-Base interactions energy: -1572.718
where: short stacking energy: -657.539
Base-Backbone interact. energy: -1.446
local terms energy: -707.361846
where:
bonds (distance) C4'-P energy: -143.208
bonds (distance) P-C4' energy: -115.500
flat angles C4'-P-C4' energy: -159.171
flat angles P-C4'-P energy: -99.901
tors. eta vs tors. theta energy: -189.582
Dist. restrs. and SS energy: 13.546 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -2199.159355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2199.159355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2212.182694 (E_RNA)
where:
Base-Base interactions energy: -1562.810
where: short stacking energy: -653.366
Base-Backbone interact. energy: 0.788
local terms energy: -650.160179
where:
bonds (distance) C4'-P energy: -133.899
bonds (distance) P-C4' energy: -129.294
flat angles C4'-P-C4' energy: -129.056
flat angles P-C4'-P energy: -72.668
tors. eta vs tors. theta energy: -185.244
Dist. restrs. and SS energy: 13.023 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -2081.990421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2081.990421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2101.138827 (E_RNA)
where:
Base-Base interactions energy: -1465.262
where: short stacking energy: -608.638
Base-Backbone interact. energy: 2.501
local terms energy: -638.377350
where:
bonds (distance) C4'-P energy: -118.404
bonds (distance) P-C4' energy: -118.821
flat angles C4'-P-C4' energy: -143.341
flat angles P-C4'-P energy: -80.998
tors. eta vs tors. theta energy: -176.813
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: 3
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -1985.636055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1985.636055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2017.014359 (E_RNA)
where:
Base-Base interactions energy: -1396.986
where: short stacking energy: -582.468
Base-Backbone interact. energy: 0.019
local terms energy: -620.046724
where:
bonds (distance) C4'-P energy: -99.991
bonds (distance) P-C4' energy: -119.279
flat angles C4'-P-C4' energy: -144.212
flat angles P-C4'-P energy: -102.161
tors. eta vs tors. theta energy: -154.403
Dist. restrs. and SS energy: 31.378 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -1937.157043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.157043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1953.158683 (E_RNA)
where:
Base-Base interactions energy: -1365.394
where: short stacking energy: -552.150
Base-Backbone interact. energy: 6.676
local terms energy: -594.440988
where:
bonds (distance) C4'-P energy: -108.482
bonds (distance) P-C4' energy: -130.186
flat angles C4'-P-C4' energy: -117.312
flat angles P-C4'-P energy: -81.707
tors. eta vs tors. theta energy: -156.754
Dist. restrs. and SS energy: 16.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -2644.696730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2644.696730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2651.516011 (E_RNA)
where:
Base-Base interactions energy: -1867.433
where: short stacking energy: -774.787
Base-Backbone interact. energy: -3.703
local terms energy: -780.379979
where:
bonds (distance) C4'-P energy: -141.943
bonds (distance) P-C4' energy: -146.795
flat angles C4'-P-C4' energy: -151.139
flat angles P-C4'-P energy: -112.407
tors. eta vs tors. theta energy: -228.096
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: 2, replica: 8
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -2581.055249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2581.055249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2586.145592 (E_RNA)
where:
Base-Base interactions energy: -1802.029
where: short stacking energy: -757.924
Base-Backbone interact. energy: -3.583
local terms energy: -780.534365
where:
bonds (distance) C4'-P energy: -137.076
bonds (distance) P-C4' energy: -147.736
flat angles C4'-P-C4' energy: -162.367
flat angles P-C4'-P energy: -107.186
tors. eta vs tors. theta energy: -226.169
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: 3, replica: 2
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -2556.690576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2556.690576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2566.059536 (E_RNA)
where:
Base-Base interactions energy: -1805.853
where: short stacking energy: -771.069
Base-Backbone interact. energy: 0.705
local terms energy: -760.911157
where:
bonds (distance) C4'-P energy: -117.389
bonds (distance) P-C4' energy: -129.740
flat angles C4'-P-C4' energy: -165.841
flat angles P-C4'-P energy: -118.674
tors. eta vs tors. theta energy: -229.267
Dist. restrs. and SS energy: 9.369 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -2423.395105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2423.395105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2442.861991 (E_RNA)
where:
Base-Base interactions energy: -1709.330
where: short stacking energy: -725.485
Base-Backbone interact. energy: -3.012
local terms energy: -730.519876
where:
bonds (distance) C4'-P energy: -130.042
bonds (distance) P-C4' energy: -131.339
flat angles C4'-P-C4' energy: -149.140
flat angles P-C4'-P energy: -104.847
tors. eta vs tors. theta energy: -215.151
Dist. restrs. and SS energy: 19.467 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -2366.831603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2366.831603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2379.387364 (E_RNA)
where:
Base-Base interactions energy: -1655.748
where: short stacking energy: -700.356
Base-Backbone interact. energy: -1.685
local terms energy: -721.954639
where:
bonds (distance) C4'-P energy: -131.561
bonds (distance) P-C4' energy: -133.356
flat angles C4'-P-C4' energy: -141.367
flat angles P-C4'-P energy: -100.202
tors. eta vs tors. theta energy: -215.468
Dist. restrs. and SS energy: 12.556 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -2245.596684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2245.596684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2266.283110 (E_RNA)
where:
Base-Base interactions energy: -1594.756
where: short stacking energy: -666.075
Base-Backbone interact. energy: -0.935
local terms energy: -670.591476
where:
bonds (distance) C4'-P energy: -114.954
bonds (distance) P-C4' energy: -120.384
flat angles C4'-P-C4' energy: -155.835
flat angles P-C4'-P energy: -88.777
tors. eta vs tors. theta energy: -190.642
Dist. restrs. and SS energy: 20.686 (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: 6
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -2187.814471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2187.814471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2202.937179 (E_RNA)
where:
Base-Base interactions energy: -1564.000
where: short stacking energy: -651.213
Base-Backbone interact. energy: -2.426
local terms energy: -636.511346
where:
bonds (distance) C4'-P energy: -127.520
bonds (distance) P-C4' energy: -97.458
flat angles C4'-P-C4' energy: -139.971
flat angles P-C4'-P energy: -75.384
tors. eta vs tors. theta energy: -196.179
Dist. restrs. and SS energy: 15.123 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -2056.069769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2056.069769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2069.182295 (E_RNA)
where:
Base-Base interactions energy: -1450.936
where: short stacking energy: -626.212
Base-Backbone interact. energy: 0.802
local terms energy: -619.048153
where:
bonds (distance) C4'-P energy: -124.763
bonds (distance) P-C4' energy: -117.456
flat angles C4'-P-C4' energy: -130.568
flat angles P-C4'-P energy: -67.527
tors. eta vs tors. theta energy: -178.733
Dist. restrs. and SS energy: 13.113 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -1953.556205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.556205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1970.344989 (E_RNA)
where:
Base-Base interactions energy: -1359.063
where: short stacking energy: -548.025
Base-Backbone interact. energy: -2.420
local terms energy: -608.862583
where:
bonds (distance) C4'-P energy: -132.658
bonds (distance) P-C4' energy: -125.600
flat angles C4'-P-C4' energy: -112.627
flat angles P-C4'-P energy: -74.415
tors. eta vs tors. theta energy: -163.562
Dist. restrs. and SS energy: 16.789 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -1859.731477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.731477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1892.059823 (E_RNA)
where:
Base-Base interactions energy: -1288.346
where: short stacking energy: -554.993
Base-Backbone interact. energy: -2.060
local terms energy: -601.653081
where:
bonds (distance) C4'-P energy: -101.137
bonds (distance) P-C4' energy: -131.473
flat angles C4'-P-C4' energy: -127.058
flat angles P-C4'-P energy: -86.412
tors. eta vs tors. theta energy: -155.574
Dist. restrs. and SS energy: 32.328 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -2683.023396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2683.023396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2690.144641 (E_RNA)
where:
Base-Base interactions energy: -1873.272
where: short stacking energy: -787.143
Base-Backbone interact. energy: -3.977
local terms energy: -812.895311
where:
bonds (distance) C4'-P energy: -151.620
bonds (distance) P-C4' energy: -138.857
flat angles C4'-P-C4' energy: -166.300
flat angles P-C4'-P energy: -125.607
tors. eta vs tors. theta energy: -230.512
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: 2, replica: 8
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -2591.085910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2591.085910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2598.813525 (E_RNA)
where:
Base-Base interactions energy: -1811.721
where: short stacking energy: -785.803
Base-Backbone interact. energy: -4.107
local terms energy: -782.985489
where:
bonds (distance) C4'-P energy: -133.365
bonds (distance) P-C4' energy: -134.896
flat angles C4'-P-C4' energy: -161.206
flat angles P-C4'-P energy: -115.344
tors. eta vs tors. theta energy: -238.175
Dist. restrs. and SS energy: 7.728 (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: 2
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -2560.801524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2560.801524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2568.017531 (E_RNA)
where:
Base-Base interactions energy: -1788.357
where: short stacking energy: -749.833
Base-Backbone interact. energy: -1.228
local terms energy: -778.432327
where:
bonds (distance) C4'-P energy: -125.125
bonds (distance) P-C4' energy: -138.936
flat angles C4'-P-C4' energy: -170.319
flat angles P-C4'-P energy: -113.760
tors. eta vs tors. theta energy: -230.292
Dist. restrs. and SS energy: 7.216 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -2409.538170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2409.538170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2423.095979 (E_RNA)
where:
Base-Base interactions energy: -1683.823
where: short stacking energy: -695.836
Base-Backbone interact. energy: -4.846
local terms energy: -734.427399
where:
bonds (distance) C4'-P energy: -137.473
bonds (distance) P-C4' energy: -139.495
flat angles C4'-P-C4' energy: -136.908
flat angles P-C4'-P energy: -105.255
tors. eta vs tors. theta energy: -215.296
Dist. restrs. and SS energy: 13.558 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -2380.924791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2380.924791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2386.449536 (E_RNA)
where:
Base-Base interactions energy: -1673.937
where: short stacking energy: -688.160
Base-Backbone interact. energy: -0.917
local terms energy: -711.596090
where:
bonds (distance) C4'-P energy: -114.572
bonds (distance) P-C4' energy: -133.058
flat angles C4'-P-C4' energy: -159.920
flat angles P-C4'-P energy: -89.414
tors. eta vs tors. theta energy: -214.632
Dist. restrs. and SS energy: 5.525 (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: 5
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -2278.032501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2278.032501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2286.883600 (E_RNA)
where:
Base-Base interactions energy: -1604.098
where: short stacking energy: -675.306
Base-Backbone interact. energy: -0.666
local terms energy: -682.120174
where:
bonds (distance) C4'-P energy: -104.659
bonds (distance) P-C4' energy: -135.308
flat angles C4'-P-C4' energy: -144.239
flat angles P-C4'-P energy: -99.395
tors. eta vs tors. theta energy: -198.519
Dist. restrs. and SS energy: 8.851 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -2133.837705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2133.837705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2154.264936 (E_RNA)
where:
Base-Base interactions energy: -1496.376
where: short stacking energy: -623.179
Base-Backbone interact. energy: -1.968
local terms energy: -655.920191
where:
bonds (distance) C4'-P energy: -117.085
bonds (distance) P-C4' energy: -122.701
flat angles C4'-P-C4' energy: -148.023
flat angles P-C4'-P energy: -82.895
tors. eta vs tors. theta energy: -185.215
Dist. restrs. and SS energy: 20.427 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -2043.210325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2043.210325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2063.571117 (E_RNA)
where:
Base-Base interactions energy: -1436.451
where: short stacking energy: -586.899
Base-Backbone interact. energy: -2.346
local terms energy: -624.774171
where:
bonds (distance) C4'-P energy: -128.143
bonds (distance) P-C4' energy: -115.058
flat angles C4'-P-C4' energy: -122.819
flat angles P-C4'-P energy: -84.046
tors. eta vs tors. theta energy: -174.709
Dist. restrs. and SS energy: 20.361 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -1921.854481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1921.854481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.094841 (E_RNA)
where:
Base-Base interactions energy: -1356.354
where: short stacking energy: -559.215
Base-Backbone interact. energy: 4.542
local terms energy: -594.283194
where:
bonds (distance) C4'-P energy: -108.252
bonds (distance) P-C4' energy: -144.110
flat angles C4'-P-C4' energy: -131.671
flat angles P-C4'-P energy: -60.625
tors. eta vs tors. theta energy: -149.625
Dist. restrs. and SS energy: 24.240 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -1933.753972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.753972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.157176 (E_RNA)
where:
Base-Base interactions energy: -1362.472
where: short stacking energy: -573.760
Base-Backbone interact. energy: -2.581
local terms energy: -595.104079
where:
bonds (distance) C4'-P energy: -109.350
bonds (distance) P-C4' energy: -119.293
flat angles C4'-P-C4' energy: -110.315
flat angles P-C4'-P energy: -86.398
tors. eta vs tors. theta energy: -169.748
Dist. restrs. and SS energy: 26.403 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -2671.454659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2671.454659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2679.255949 (E_RNA)
where:
Base-Base interactions energy: -1862.942
where: short stacking energy: -781.006
Base-Backbone interact. energy: -5.288
local terms energy: -811.025500
where:
bonds (distance) C4'-P energy: -146.250
bonds (distance) P-C4' energy: -154.706
flat angles C4'-P-C4' energy: -163.735
flat angles P-C4'-P energy: -115.956
tors. eta vs tors. theta energy: -230.378
Dist. restrs. and SS energy: 7.801 (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: 8
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -2581.272496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2581.272496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2586.190793 (E_RNA)
where:
Base-Base interactions energy: -1826.083
where: short stacking energy: -751.843
Base-Backbone interact. energy: -3.274
local terms energy: -756.832968
where:
bonds (distance) C4'-P energy: -137.032
bonds (distance) P-C4' energy: -137.280
flat angles C4'-P-C4' energy: -155.801
flat angles P-C4'-P energy: -105.061
tors. eta vs tors. theta energy: -221.660
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: 3, replica: 2
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -2582.817073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2582.817073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2588.512321 (E_RNA)
where:
Base-Base interactions energy: -1798.644
where: short stacking energy: -757.111
Base-Backbone interact. energy: 1.577
local terms energy: -791.445248
where:
bonds (distance) C4'-P energy: -140.515
bonds (distance) P-C4' energy: -151.605
flat angles C4'-P-C4' energy: -163.681
flat angles P-C4'-P energy: -108.498
tors. eta vs tors. theta energy: -227.146
Dist. restrs. and SS energy: 5.695 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -2401.543895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2401.543895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2417.063291 (E_RNA)
where:
Base-Base interactions energy: -1699.136
where: short stacking energy: -718.312
Base-Backbone interact. energy: -1.533
local terms energy: -716.394912
where:
bonds (distance) C4'-P energy: -132.655
bonds (distance) P-C4' energy: -124.291
flat angles C4'-P-C4' energy: -155.809
flat angles P-C4'-P energy: -87.749
tors. eta vs tors. theta energy: -215.892
Dist. restrs. and SS energy: 15.519 (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: 78
Temperature: 1.100000
Total energy: -2365.761801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2365.761801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2375.438547 (E_RNA)
where:
Base-Base interactions energy: -1666.236
where: short stacking energy: -712.349
Base-Backbone interact. energy: -1.842
local terms energy: -707.360922
where:
bonds (distance) C4'-P energy: -127.413
bonds (distance) P-C4' energy: -119.446
flat angles C4'-P-C4' energy: -155.467
flat angles P-C4'-P energy: -100.234
tors. eta vs tors. theta energy: -204.802
Dist. restrs. and SS energy: 9.677 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -2285.234837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2285.234837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2299.812517 (E_RNA)
where:
Base-Base interactions energy: -1611.785
where: short stacking energy: -686.893
Base-Backbone interact. energy: 0.465
local terms energy: -688.491808
where:
bonds (distance) C4'-P energy: -120.853
bonds (distance) P-C4' energy: -116.710
flat angles C4'-P-C4' energy: -155.176
flat angles P-C4'-P energy: -99.484
tors. eta vs tors. theta energy: -196.269
Dist. restrs. and SS energy: 14.578 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -2149.575341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2149.575341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2159.579579 (E_RNA)
where:
Base-Base interactions energy: -1496.471
where: short stacking energy: -624.465
Base-Backbone interact. energy: -3.588
local terms energy: -659.520282
where:
bonds (distance) C4'-P energy: -136.827
bonds (distance) P-C4' energy: -134.917
flat angles C4'-P-C4' energy: -146.365
flat angles P-C4'-P energy: -66.050
tors. eta vs tors. theta energy: -175.361
Dist. restrs. and SS energy: 10.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -2018.104463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.104463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2039.176369 (E_RNA)
where:
Base-Base interactions energy: -1393.517
where: short stacking energy: -584.691
Base-Backbone interact. energy: -1.872
local terms energy: -643.787366
where:
bonds (distance) C4'-P energy: -118.241
bonds (distance) P-C4' energy: -125.366
flat angles C4'-P-C4' energy: -133.090
flat angles P-C4'-P energy: -92.287
tors. eta vs tors. theta energy: -174.803
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: 1
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -1950.720848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.720848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.583142 (E_RNA)
where:
Base-Base interactions energy: -1391.093
where: short stacking energy: -564.516
Base-Backbone interact. energy: 1.000
local terms energy: -576.489759
where:
bonds (distance) C4'-P energy: -110.002
bonds (distance) P-C4' energy: -113.875
flat angles C4'-P-C4' energy: -112.233
flat angles P-C4'-P energy: -81.563
tors. eta vs tors. theta energy: -158.816
Dist. restrs. and SS energy: 15.862 (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: 3
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -1957.441930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1957.441930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1981.409229 (E_RNA)
where:
Base-Base interactions energy: -1394.634
where: short stacking energy: -572.096
Base-Backbone interact. energy: -1.924
local terms energy: -584.851203
where:
bonds (distance) C4'-P energy: -101.455
bonds (distance) P-C4' energy: -128.610
flat angles C4'-P-C4' energy: -119.524
flat angles P-C4'-P energy: -70.986
tors. eta vs tors. theta energy: -164.277
Dist. restrs. and SS energy: 23.967 (S_DIST_RNA)
chem. 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: -2658.331597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2658.331597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2664.659424 (E_RNA)
where:
Base-Base interactions energy: -1849.989
where: short stacking energy: -776.423
Base-Backbone interact. energy: -3.038
local terms energy: -811.632078
where:
bonds (distance) C4'-P energy: -133.019
bonds (distance) P-C4' energy: -160.643
flat angles C4'-P-C4' energy: -176.713
flat angles P-C4'-P energy: -116.305
tors. eta vs tors. theta energy: -224.952
Dist. restrs. and SS energy: 6.328 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -2596.773474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2596.773474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2604.543039 (E_RNA)
where:
Base-Base interactions energy: -1813.496
where: short stacking energy: -778.218
Base-Backbone interact. energy: -3.181
local terms energy: -787.865835
where:
bonds (distance) C4'-P energy: -154.946
bonds (distance) P-C4' energy: -135.589
flat angles C4'-P-C4' energy: -158.398
flat angles P-C4'-P energy: -106.810
tors. eta vs tors. theta energy: -232.123
Dist. restrs. and SS energy: 7.770 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -2558.297295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2558.297295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2567.556475 (E_RNA)
where:
Base-Base interactions energy: -1810.142
where: short stacking energy: -747.604
Base-Backbone interact. energy: -2.747
local terms energy: -754.668151
where:
bonds (distance) C4'-P energy: -126.825
bonds (distance) P-C4' energy: -133.980
flat angles C4'-P-C4' energy: -159.879
flat angles P-C4'-P energy: -118.921
tors. eta vs tors. theta energy: -215.062
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: 4, replica: 9
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -2420.766729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2420.766729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2428.189795 (E_RNA)
where:
Base-Base interactions energy: -1675.970
where: short stacking energy: -742.759
Base-Backbone interact. energy: -3.606
local terms energy: -748.613520
where:
bonds (distance) C4'-P energy: -119.429
bonds (distance) P-C4' energy: -139.967
flat angles C4'-P-C4' energy: -165.544
flat angles P-C4'-P energy: -107.739
tors. eta vs tors. theta energy: -215.934
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: 5, replica: 7
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -2337.029499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2337.029499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2353.178982 (E_RNA)
where:
Base-Base interactions energy: -1614.268
where: short stacking energy: -687.021
Base-Backbone interact. energy: -1.147
local terms energy: -737.763252
where:
bonds (distance) C4'-P energy: -135.375
bonds (distance) P-C4' energy: -140.756
flat angles C4'-P-C4' energy: -163.179
flat angles P-C4'-P energy: -90.629
tors. eta vs tors. theta energy: -207.825
Dist. restrs. and SS energy: 16.149 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -2272.317725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2272.317725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2279.052457 (E_RNA)
where:
Base-Base interactions energy: -1582.736
where: short stacking energy: -678.789
Base-Backbone interact. energy: 3.465
local terms energy: -699.780738
where:
bonds (distance) C4'-P energy: -122.449
bonds (distance) P-C4' energy: -134.682
flat angles C4'-P-C4' energy: -145.130
flat angles P-C4'-P energy: -93.332
tors. eta vs tors. theta energy: -204.188
Dist. restrs. and SS energy: 6.735 (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: 79
Temperature: 1.200000
Total energy: -2196.975434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2196.975434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2214.620147 (E_RNA)
where:
Base-Base interactions energy: -1543.392
where: short stacking energy: -667.264
Base-Backbone interact. energy: -0.856
local terms energy: -670.372421
where:
bonds (distance) C4'-P energy: -128.081
bonds (distance) P-C4' energy: -114.089
flat angles C4'-P-C4' energy: -148.609
flat angles P-C4'-P energy: -88.096
tors. eta vs tors. theta energy: -191.498
Dist. restrs. and SS energy: 17.645 (S_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: -2054.043782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2054.043782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.677477 (E_RNA)
where:
Base-Base interactions energy: -1464.423
where: short stacking energy: -626.587
Base-Backbone interact. energy: 0.401
local terms energy: -607.655581
where:
bonds (distance) C4'-P energy: -111.914
bonds (distance) P-C4' energy: -114.654
flat angles C4'-P-C4' energy: -125.036
flat angles P-C4'-P energy: -87.166
tors. eta vs tors. theta energy: -168.885
Dist. restrs. and SS energy: 17.634 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -1993.141045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1993.141045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2010.616642 (E_RNA)
where:
Base-Base interactions energy: -1404.704
where: short stacking energy: -586.623
Base-Backbone interact. energy: -2.050
local terms energy: -603.862624
where:
bonds (distance) C4'-P energy: -116.345
bonds (distance) P-C4' energy: -116.014
flat angles C4'-P-C4' energy: -126.685
flat angles P-C4'-P energy: -78.970
tors. eta vs tors. theta energy: -165.849
Dist. restrs. and SS energy: 17.476 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -1888.249619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.249619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1907.532058 (E_RNA)
where:
Base-Base interactions energy: -1340.445
where: short stacking energy: -558.296
Base-Backbone interact. energy: -1.572
local terms energy: -565.515096
where:
bonds (distance) C4'-P energy: -93.491
bonds (distance) P-C4' energy: -129.217
flat angles C4'-P-C4' energy: -118.199
flat angles P-C4'-P energy: -76.959
tors. eta vs tors. theta energy: -147.649
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: 1, replica: 10
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -2692.166512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2692.166512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2698.887163 (E_RNA)
where:
Base-Base interactions energy: -1893.510
where: short stacking energy: -790.169
Base-Backbone interact. energy: 0.224
local terms energy: -805.600885
where:
bonds (distance) C4'-P energy: -149.900
bonds (distance) P-C4' energy: -144.894
flat angles C4'-P-C4' energy: -158.231
flat angles P-C4'-P energy: -124.878
tors. eta vs tors. theta energy: -227.699
Dist. restrs. and SS energy: 6.721 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -2607.037735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2607.037735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2614.604331 (E_RNA)
where:
Base-Base interactions energy: -1839.334
where: short stacking energy: -763.448
Base-Backbone interact. energy: -2.590
local terms energy: -772.680832
where:
bonds (distance) C4'-P energy: -140.012
bonds (distance) P-C4' energy: -140.475
flat angles C4'-P-C4' energy: -151.166
flat angles P-C4'-P energy: -107.080
tors. eta vs tors. theta energy: -233.947
Dist. restrs. and SS energy: 7.567 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -2525.532783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2525.532783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2530.485864 (E_RNA)
where:
Base-Base interactions energy: -1761.383
where: short stacking energy: -740.504
Base-Backbone interact. energy: -0.690
local terms energy: -768.412894
where:
bonds (distance) C4'-P energy: -128.501
bonds (distance) P-C4' energy: -135.570
flat angles C4'-P-C4' energy: -157.610
flat angles P-C4'-P energy: -116.827
tors. eta vs tors. theta energy: -229.905
Dist. restrs. and SS energy: 4.953 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -2442.203372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2442.203372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2452.512412 (E_RNA)
where:
Base-Base interactions energy: -1684.516
where: short stacking energy: -710.855
Base-Backbone interact. energy: -4.971
local terms energy: -763.025523
where:
bonds (distance) C4'-P energy: -143.603
bonds (distance) P-C4' energy: -134.147
flat angles C4'-P-C4' energy: -156.521
flat angles P-C4'-P energy: -117.159
tors. eta vs tors. theta energy: -211.596
Dist. restrs. and SS energy: 10.309 (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: 7
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -2364.004207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2364.004207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2378.823927 (E_RNA)
where:
Base-Base interactions energy: -1672.088
where: short stacking energy: -691.208
Base-Backbone interact. energy: 6.251
local terms energy: -712.987007
where:
bonds (distance) C4'-P energy: -134.512
bonds (distance) P-C4' energy: -118.644
flat angles C4'-P-C4' energy: -156.436
flat angles P-C4'-P energy: -96.849
tors. eta vs tors. theta energy: -206.546
Dist. restrs. and SS energy: 14.820 (S_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: 80
Temperature: 1.150000
Total energy: -2284.353903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2284.353903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2296.085910 (E_RNA)
where:
Base-Base interactions energy: -1624.832
where: short stacking energy: -675.755
Base-Backbone interact. energy: 1.816
local terms energy: -673.069291
where:
bonds (distance) C4'-P energy: -129.355
bonds (distance) P-C4' energy: -113.850
flat angles C4'-P-C4' energy: -147.618
flat angles P-C4'-P energy: -88.690
tors. eta vs tors. theta energy: -193.555
Dist. restrs. and SS energy: 11.732 (S_DIST_RNA)
chem. 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: -2187.188428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2187.188428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2201.227130 (E_RNA)
where:
Base-Base interactions energy: -1561.690
where: short stacking energy: -642.252
Base-Backbone interact. energy: 0.711
local terms energy: -640.248240
where:
bonds (distance) C4'-P energy: -117.629
bonds (distance) P-C4' energy: -105.007
flat angles C4'-P-C4' energy: -146.898
flat angles P-C4'-P energy: -82.456
tors. eta vs tors. theta energy: -188.259
Dist. restrs. and SS energy: 14.039 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -2005.322403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2005.322403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2024.917872 (E_RNA)
where:
Base-Base interactions energy: -1410.488
where: short stacking energy: -564.775
Base-Backbone interact. energy: -3.409
local terms energy: -611.020359
where:
bonds (distance) C4'-P energy: -117.295
bonds (distance) P-C4' energy: -109.436
flat angles C4'-P-C4' energy: -141.595
flat angles P-C4'-P energy: -69.769
tors. eta vs tors. theta energy: -172.925
Dist. restrs. and SS energy: 19.595 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -2015.064624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2015.064624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2044.728597 (E_RNA)
where:
Base-Base interactions energy: -1425.410
where: short stacking energy: -593.173
Base-Backbone interact. energy: 4.585
local terms energy: -623.903362
where:
bonds (distance) C4'-P energy: -110.619
bonds (distance) P-C4' energy: -136.280
flat angles C4'-P-C4' energy: -132.748
flat angles P-C4'-P energy: -76.522
tors. eta vs tors. theta energy: -167.735
Dist. restrs. and SS energy: 29.664 (S_DIST_RNA)
chem. 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: -1875.373169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.373169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1895.569215 (E_RNA)
where:
Base-Base interactions energy: -1340.744
where: short stacking energy: -541.908
Base-Backbone interact. energy: -4.466
local terms energy: -550.359795
where:
bonds (distance) C4'-P energy: -113.423
bonds (distance) P-C4' energy: -107.236
flat angles C4'-P-C4' energy: -102.078
flat angles P-C4'-P energy: -75.298
tors. eta vs tors. theta energy: -152.325
Dist. restrs. and SS energy: 20.196 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -2649.510629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2649.510629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2657.272573 (E_RNA)
where:
Base-Base interactions energy: -1859.225
where: short stacking energy: -788.521
Base-Backbone interact. energy: -2.399
local terms energy: -795.648938
where:
bonds (distance) C4'-P energy: -145.974
bonds (distance) P-C4' energy: -138.631
flat angles C4'-P-C4' energy: -174.486
flat angles P-C4'-P energy: -107.230
tors. eta vs tors. theta energy: -229.328
Dist. restrs. and SS energy: 7.762 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -2565.596526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2565.596526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2571.160703 (E_RNA)
where:
Base-Base interactions energy: -1802.494
where: short stacking energy: -762.101
Base-Backbone interact. energy: 0.181
local terms energy: -768.847350
where:
bonds (distance) C4'-P energy: -135.702
bonds (distance) P-C4' energy: -150.874
flat angles C4'-P-C4' energy: -156.859
flat angles P-C4'-P energy: -108.738
tors. eta vs tors. theta energy: -216.674
Dist. restrs. and SS energy: 5.564 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -2554.391271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2554.391271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2558.022433 (E_RNA)
where:
Base-Base interactions energy: -1813.740
where: short stacking energy: -751.896
Base-Backbone interact. energy: 1.238
local terms energy: -745.520943
where:
bonds (distance) C4'-P energy: -137.347
bonds (distance) P-C4' energy: -139.390
flat angles C4'-P-C4' energy: -135.587
flat angles P-C4'-P energy: -111.621
tors. eta vs tors. theta energy: -221.575
Dist. restrs. and SS energy: 3.631 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -2429.034016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2429.034016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2444.750798 (E_RNA)
where:
Base-Base interactions energy: -1685.414
where: short stacking energy: -693.496
Base-Backbone interact. energy: -1.889
local terms energy: -757.447489
where:
bonds (distance) C4'-P energy: -139.347
bonds (distance) P-C4' energy: -154.406
flat angles C4'-P-C4' energy: -157.888
flat angles P-C4'-P energy: -103.193
tors. eta vs tors. theta energy: -202.613
Dist. restrs. and SS energy: 15.717 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -2358.793695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2358.793695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2366.729303 (E_RNA)
where:
Base-Base interactions energy: -1639.724
where: short stacking energy: -698.503
Base-Backbone interact. energy: 0.005
local terms energy: -727.010387
where:
bonds (distance) C4'-P energy: -117.558
bonds (distance) P-C4' energy: -132.634
flat angles C4'-P-C4' energy: -161.484
flat angles P-C4'-P energy: -91.943
tors. eta vs tors. theta energy: -223.391
Dist. restrs. and SS energy: 7.936 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -2244.473532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2244.473532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2254.206970 (E_RNA)
where:
Base-Base interactions energy: -1597.841
where: short stacking energy: -646.089
Base-Backbone interact. energy: -1.863
local terms energy: -654.503334
where:
bonds (distance) C4'-P energy: -113.895
bonds (distance) P-C4' energy: -133.620
flat angles C4'-P-C4' energy: -131.741
flat angles P-C4'-P energy: -88.127
tors. eta vs tors. theta energy: -187.121
Dist. restrs. and SS energy: 9.733 (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: 6
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -2200.922959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2200.922959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2213.081363 (E_RNA)
where:
Base-Base interactions energy: -1557.529
where: short stacking energy: -637.285
Base-Backbone interact. energy: -3.778
local terms energy: -651.774338
where:
bonds (distance) C4'-P energy: -114.535
bonds (distance) P-C4' energy: -128.576
flat angles C4'-P-C4' energy: -143.445
flat angles P-C4'-P energy: -75.869
tors. eta vs tors. theta energy: -189.349
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: 8, replica: 1
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -2109.477978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2109.477978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2125.468511 (E_RNA)
where:
Base-Base interactions energy: -1463.829
where: short stacking energy: -601.604
Base-Backbone interact. energy: -0.058
local terms energy: -661.581489
where:
bonds (distance) C4'-P energy: -126.098
bonds (distance) P-C4' energy: -129.863
flat angles C4'-P-C4' energy: -139.753
flat angles P-C4'-P energy: -85.407
tors. eta vs tors. theta energy: -180.460
Dist. restrs. and SS energy: 15.991 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -2009.089725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.089725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2026.752838 (E_RNA)
where:
Base-Base interactions energy: -1418.824
where: short stacking energy: -594.283
Base-Backbone interact. energy: -1.425
local terms energy: -606.504381
where:
bonds (distance) C4'-P energy: -128.469
bonds (distance) P-C4' energy: -93.199
flat angles C4'-P-C4' energy: -139.264
flat angles P-C4'-P energy: -80.928
tors. eta vs tors. theta energy: -164.644
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: 3
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -1924.598258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.598258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.133057 (E_RNA)
where:
Base-Base interactions energy: -1347.075
where: short stacking energy: -535.603
Base-Backbone interact. energy: -1.355
local terms energy: -603.703294
where:
bonds (distance) C4'-P energy: -113.088
bonds (distance) P-C4' energy: -105.637
flat angles C4'-P-C4' energy: -135.189
flat angles P-C4'-P energy: -75.122
tors. eta vs tors. theta energy: -174.666
Dist. restrs. and SS energy: 27.535 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -2661.476020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2661.476020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2669.705877 (E_RNA)
where:
Base-Base interactions energy: -1846.474
where: short stacking energy: -766.940
Base-Backbone interact. energy: -2.658
local terms energy: -820.573278
where:
bonds (distance) C4'-P energy: -158.246
bonds (distance) P-C4' energy: -139.882
flat angles C4'-P-C4' energy: -176.357
flat angles P-C4'-P energy: -126.409
tors. eta vs tors. theta energy: -219.680
Dist. restrs. and SS energy: 8.230 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -2588.925765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2588.925765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2591.457662 (E_RNA)
where:
Base-Base interactions energy: -1819.065
where: short stacking energy: -775.093
Base-Backbone interact. energy: -3.203
local terms energy: -769.189311
where:
bonds (distance) C4'-P energy: -132.706
bonds (distance) P-C4' energy: -141.848
flat angles C4'-P-C4' energy: -159.355
flat angles P-C4'-P energy: -107.640
tors. eta vs tors. theta energy: -227.641
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: 3, replica: 2
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -2546.628155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2546.628155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2555.352992 (E_RNA)
where:
Base-Base interactions energy: -1813.170
where: short stacking energy: -732.501
Base-Backbone interact. energy: -1.576
local terms energy: -740.606707
where:
bonds (distance) C4'-P energy: -124.833
bonds (distance) P-C4' energy: -129.613
flat angles C4'-P-C4' energy: -161.010
flat angles P-C4'-P energy: -109.954
tors. eta vs tors. theta energy: -215.197
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: 4, replica: 7
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -2437.658680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2437.658680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2454.564278 (E_RNA)
where:
Base-Base interactions energy: -1679.424
where: short stacking energy: -717.898
Base-Backbone interact. energy: -5.440
local terms energy: -769.700050
where:
bonds (distance) C4'-P energy: -136.325
bonds (distance) P-C4' energy: -138.211
flat angles C4'-P-C4' energy: -163.140
flat angles P-C4'-P energy: -101.943
tors. eta vs tors. theta energy: -230.082
Dist. restrs. and SS energy: 16.906 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -2356.032708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2356.032708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2369.633630 (E_RNA)
where:
Base-Base interactions energy: -1659.728
where: short stacking energy: -723.230
Base-Backbone interact. energy: -3.832
local terms energy: -706.073228
where:
bonds (distance) C4'-P energy: -130.624
bonds (distance) P-C4' energy: -121.385
flat angles C4'-P-C4' energy: -155.568
flat angles P-C4'-P energy: -89.070
tors. eta vs tors. theta energy: -209.426
Dist. restrs. and SS energy: 13.601 (S_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: 82
Temperature: 1.150000
Total energy: -2288.704391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2288.704391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2295.434141 (E_RNA)
where:
Base-Base interactions energy: -1611.286
where: short stacking energy: -664.224
Base-Backbone interact. energy: -4.292
local terms energy: -679.855440
where:
bonds (distance) C4'-P energy: -112.727
bonds (distance) P-C4' energy: -117.134
flat angles C4'-P-C4' energy: -153.030
flat angles P-C4'-P energy: -97.192
tors. eta vs tors. theta energy: -199.772
Dist. restrs. and SS energy: 6.730 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -2204.737381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2204.737381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2215.834170 (E_RNA)
where:
Base-Base interactions energy: -1563.558
where: short stacking energy: -652.483
Base-Backbone interact. energy: -3.028
local terms energy: -649.248147
where:
bonds (distance) C4'-P energy: -106.433
bonds (distance) P-C4' energy: -120.078
flat angles C4'-P-C4' energy: -136.944
flat angles P-C4'-P energy: -95.423
tors. eta vs tors. theta energy: -190.371
Dist. restrs. and SS energy: 11.097 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -2086.686774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2086.686774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2103.365701 (E_RNA)
where:
Base-Base interactions energy: -1473.601
where: short stacking energy: -602.185
Base-Backbone interact. energy: -1.248
local terms energy: -628.516750
where:
bonds (distance) C4'-P energy: -116.690
bonds (distance) P-C4' energy: -108.962
flat angles C4'-P-C4' energy: -142.879
flat angles P-C4'-P energy: -80.116
tors. eta vs tors. theta energy: -179.870
Dist. restrs. and SS energy: 16.679 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -1981.308808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1981.308808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1995.431743 (E_RNA)
where:
Base-Base interactions energy: -1402.704
where: short stacking energy: -587.113
Base-Backbone interact. energy: 0.718
local terms energy: -593.445647
where:
bonds (distance) C4'-P energy: -104.407
bonds (distance) P-C4' energy: -117.131
flat angles C4'-P-C4' energy: -134.637
flat angles P-C4'-P energy: -75.664
tors. eta vs tors. theta energy: -161.606
Dist. restrs. and SS energy: 14.123 (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: 3
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -1905.663884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.663884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1927.224318 (E_RNA)
where:
Base-Base interactions energy: -1332.442
where: short stacking energy: -516.095
Base-Backbone interact. energy: -1.010
local terms energy: -593.771931
where:
bonds (distance) C4'-P energy: -112.370
bonds (distance) P-C4' energy: -126.680
flat angles C4'-P-C4' energy: -127.477
flat angles P-C4'-P energy: -95.584
tors. eta vs tors. theta energy: -131.661
Dist. restrs. and SS energy: 21.560 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -2634.625073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2634.625073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2642.740641 (E_RNA)
where:
Base-Base interactions energy: -1833.197
where: short stacking energy: -745.183
Base-Backbone interact. energy: -4.083
local terms energy: -805.460631
where:
bonds (distance) C4'-P energy: -155.094
bonds (distance) P-C4' energy: -146.008
flat angles C4'-P-C4' energy: -174.821
flat angles P-C4'-P energy: -110.768
tors. eta vs tors. theta energy: -218.770
Dist. restrs. and SS energy: 8.116 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -2574.228023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2574.228023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2580.851405 (E_RNA)
where:
Base-Base interactions energy: -1801.804
where: short stacking energy: -754.362
Base-Backbone interact. energy: -5.832
local terms energy: -773.215457
where:
bonds (distance) C4'-P energy: -131.623
bonds (distance) P-C4' energy: -147.773
flat angles C4'-P-C4' energy: -163.292
flat angles P-C4'-P energy: -117.638
tors. eta vs tors. theta energy: -212.889
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: 3, replica: 2
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -2549.754586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2549.754586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2558.080711 (E_RNA)
where:
Base-Base interactions energy: -1793.396
where: short stacking energy: -755.446
Base-Backbone interact. energy: -1.245
local terms energy: -763.439258
where:
bonds (distance) C4'-P energy: -143.930
bonds (distance) P-C4' energy: -137.152
flat angles C4'-P-C4' energy: -153.391
flat angles P-C4'-P energy: -99.731
tors. eta vs tors. theta energy: -229.235
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: 4, replica: 7
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -2470.685196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2470.685196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2489.960325 (E_RNA)
where:
Base-Base interactions energy: -1740.577
where: short stacking energy: -731.358
Base-Backbone interact. energy: -2.362
local terms energy: -747.021714
where:
bonds (distance) C4'-P energy: -129.629
bonds (distance) P-C4' energy: -132.579
flat angles C4'-P-C4' energy: -170.145
flat angles P-C4'-P energy: -98.201
tors. eta vs tors. theta energy: -216.468
Dist. restrs. and SS energy: 19.275 (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: 9
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -2426.133913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2426.133913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2436.739833 (E_RNA)
where:
Base-Base interactions energy: -1697.767
where: short stacking energy: -747.342
Base-Backbone interact. energy: -0.021
local terms energy: -738.951461
where:
bonds (distance) C4'-P energy: -133.527
bonds (distance) P-C4' energy: -126.790
flat angles C4'-P-C4' energy: -148.095
flat angles P-C4'-P energy: -103.153
tors. eta vs tors. theta energy: -227.387
Dist. restrs. and SS energy: 10.606 (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: 5
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -2288.518169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2288.518169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2297.107508 (E_RNA)
where:
Base-Base interactions energy: -1609.963
where: short stacking energy: -669.052
Base-Backbone interact. energy: -2.457
local terms energy: -684.687467
where:
bonds (distance) C4'-P energy: -119.840
bonds (distance) P-C4' energy: -111.194
flat angles C4'-P-C4' energy: -154.717
flat angles P-C4'-P energy: -104.964
tors. eta vs tors. theta energy: -193.973
Dist. restrs. and SS energy: 8.589 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -2223.992367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2223.992367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2234.583715 (E_RNA)
where:
Base-Base interactions energy: -1535.765
where: short stacking energy: -628.316
Base-Backbone interact. energy: 4.174
local terms energy: -702.993075
where:
bonds (distance) C4'-P energy: -127.578
bonds (distance) P-C4' energy: -130.340
flat angles C4'-P-C4' energy: -155.519
flat angles P-C4'-P energy: -101.156
tors. eta vs tors. theta energy: -188.400
Dist. restrs. and SS energy: 10.591 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -2125.634788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2125.634788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2147.571603 (E_RNA)
where:
Base-Base interactions energy: -1498.789
where: short stacking energy: -658.749
Base-Backbone interact. energy: -3.359
local terms energy: -645.423877
where:
bonds (distance) C4'-P energy: -109.514
bonds (distance) P-C4' energy: -105.171
flat angles C4'-P-C4' energy: -156.234
flat angles P-C4'-P energy: -86.741
tors. eta vs tors. theta energy: -187.765
Dist. restrs. and SS energy: 21.937 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -2031.636534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2031.636534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2042.918689 (E_RNA)
where:
Base-Base interactions energy: -1429.665
where: short stacking energy: -591.656
Base-Backbone interact. energy: 3.993
local terms energy: -617.247441
where:
bonds (distance) C4'-P energy: -107.411
bonds (distance) P-C4' energy: -112.723
flat angles C4'-P-C4' energy: -139.185
flat angles P-C4'-P energy: -95.115
tors. eta vs tors. theta energy: -162.814
Dist. restrs. and SS energy: 11.282 (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: 83
Temperature: 1.350000
Total energy: -1887.936282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1887.936282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.274131 (E_RNA)
where:
Base-Base interactions energy: -1359.604
where: short stacking energy: -590.929
Base-Backbone interact. energy: 1.693
local terms energy: -558.363556
where:
bonds (distance) C4'-P energy: -106.145
bonds (distance) P-C4' energy: -103.491
flat angles C4'-P-C4' energy: -108.432
flat angles P-C4'-P energy: -76.905
tors. eta vs tors. theta energy: -163.390
Dist. restrs. and SS energy: 28.338 (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: 10
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -2654.757301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2654.757301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2663.798114 (E_RNA)
where:
Base-Base interactions energy: -1857.576
where: short stacking energy: -749.364
Base-Backbone interact. energy: -3.960
local terms energy: -802.262710
where:
bonds (distance) C4'-P energy: -146.862
bonds (distance) P-C4' energy: -144.998
flat angles C4'-P-C4' energy: -171.236
flat angles P-C4'-P energy: -123.584
tors. eta vs tors. theta energy: -215.583
Dist. restrs. and SS energy: 9.041 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -2566.273957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2566.273957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2572.803266 (E_RNA)
where:
Base-Base interactions energy: -1820.960
where: short stacking energy: -768.780
Base-Backbone interact. energy: -3.924
local terms energy: -747.919521
where:
bonds (distance) C4'-P energy: -124.499
bonds (distance) P-C4' energy: -150.068
flat angles C4'-P-C4' energy: -146.826
flat angles P-C4'-P energy: -100.641
tors. eta vs tors. theta energy: -225.885
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: 2
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -2585.646991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2585.646991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2592.360495 (E_RNA)
where:
Base-Base interactions energy: -1817.288
where: short stacking energy: -750.577
Base-Backbone interact. energy: -1.583
local terms energy: -773.489881
where:
bonds (distance) C4'-P energy: -129.014
bonds (distance) P-C4' energy: -142.886
flat angles C4'-P-C4' energy: -160.839
flat angles P-C4'-P energy: -111.643
tors. eta vs tors. theta energy: -229.108
Dist. restrs. and SS energy: 6.714 (S_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: 84
Temperature: 1.050000
Total energy: -2440.845168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2440.845168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2456.654653 (E_RNA)
where:
Base-Base interactions energy: -1725.630
where: short stacking energy: -726.118
Base-Backbone interact. energy: -3.845
local terms energy: -727.179402
where:
bonds (distance) C4'-P energy: -122.591
bonds (distance) P-C4' energy: -134.527
flat angles C4'-P-C4' energy: -158.161
flat angles P-C4'-P energy: -95.775
tors. eta vs tors. theta energy: -216.125
Dist. restrs. and SS energy: 15.809 (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: 9
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -2385.983081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2385.983081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2392.622696 (E_RNA)
where:
Base-Base interactions energy: -1660.904
where: short stacking energy: -710.098
Base-Backbone interact. energy: -3.050
local terms energy: -728.669494
where:
bonds (distance) C4'-P energy: -133.782
bonds (distance) P-C4' energy: -135.127
flat angles C4'-P-C4' energy: -163.006
flat angles P-C4'-P energy: -86.869
tors. eta vs tors. theta energy: -209.885
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: 6, replica: 5
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -2274.489762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2274.489762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2284.727588 (E_RNA)
where:
Base-Base interactions energy: -1573.498
where: short stacking energy: -666.710
Base-Backbone interact. energy: -1.031
local terms energy: -710.198495
where:
bonds (distance) C4'-P energy: -114.685
bonds (distance) P-C4' energy: -140.550
flat angles C4'-P-C4' energy: -151.874
flat angles P-C4'-P energy: -92.825
tors. eta vs tors. theta energy: -210.264
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: 7, replica: 6
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -2224.383509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2224.383509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2236.804624 (E_RNA)
where:
Base-Base interactions energy: -1578.848
where: short stacking energy: -654.882
Base-Backbone interact. energy: -2.681
local terms energy: -655.275383
where:
bonds (distance) C4'-P energy: -112.822
bonds (distance) P-C4' energy: -125.376
flat angles C4'-P-C4' energy: -140.875
flat angles P-C4'-P energy: -85.139
tors. eta vs tors. theta energy: -191.062
Dist. restrs. and SS energy: 12.421 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -2100.208795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2100.208795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2110.454741 (E_RNA)
where:
Base-Base interactions energy: -1464.169
where: short stacking energy: -620.488
Base-Backbone interact. energy: 1.155
local terms energy: -647.440248
where:
bonds (distance) C4'-P energy: -117.200
bonds (distance) P-C4' energy: -124.373
flat angles C4'-P-C4' energy: -145.476
flat angles P-C4'-P energy: -78.894
tors. eta vs tors. theta energy: -181.498
Dist. restrs. and SS energy: 10.246 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -2096.304535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2096.304535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2110.890494 (E_RNA)
where:
Base-Base interactions energy: -1478.518
where: short stacking energy: -621.298
Base-Backbone interact. energy: 4.434
local terms energy: -636.806862
where:
bonds (distance) C4'-P energy: -102.924
bonds (distance) P-C4' energy: -123.723
flat angles C4'-P-C4' energy: -143.291
flat angles P-C4'-P energy: -87.156
tors. eta vs tors. theta energy: -179.712
Dist. restrs. and SS energy: 14.586 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -1910.748034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1910.748034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1935.430830 (E_RNA)
where:
Base-Base interactions energy: -1361.789
where: short stacking energy: -552.807
Base-Backbone interact. energy: 0.412
local terms energy: -574.053562
where:
bonds (distance) C4'-P energy: -105.567
bonds (distance) P-C4' energy: -110.076
flat angles C4'-P-C4' energy: -116.980
flat angles P-C4'-P energy: -85.768
tors. eta vs tors. theta energy: -155.664
Dist. restrs. and SS energy: 24.683 (S_DIST_RNA)
chem. 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: -2663.867281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2663.867281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2670.543317 (E_RNA)
where:
Base-Base interactions energy: -1872.646
where: short stacking energy: -783.237
Base-Backbone interact. energy: -1.289
local terms energy: -796.608468
where:
bonds (distance) C4'-P energy: -145.314
bonds (distance) P-C4' energy: -149.030
flat angles C4'-P-C4' energy: -161.850
flat angles P-C4'-P energy: -110.773
tors. eta vs tors. theta energy: -229.643
Dist. restrs. and SS energy: 6.676 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -2570.827066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2570.827066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2575.704695 (E_RNA)
where:
Base-Base interactions energy: -1770.957
where: short stacking energy: -763.240
Base-Backbone interact. energy: 0.358
local terms energy: -805.105380
where:
bonds (distance) C4'-P energy: -155.039
bonds (distance) P-C4' energy: -144.546
flat angles C4'-P-C4' energy: -166.744
flat angles P-C4'-P energy: -108.188
tors. eta vs tors. theta energy: -230.589
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: 3, replica: 2
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -2574.522629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2574.522629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2581.728482 (E_RNA)
where:
Base-Base interactions energy: -1823.055
where: short stacking energy: -756.592
Base-Backbone interact. energy: -2.489
local terms energy: -756.184753
where:
bonds (distance) C4'-P energy: -117.803
bonds (distance) P-C4' energy: -144.759
flat angles C4'-P-C4' energy: -159.498
flat angles P-C4'-P energy: -110.459
tors. eta vs tors. theta energy: -223.666
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: 4, replica: 7
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -2453.781916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2453.781916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2468.546198 (E_RNA)
where:
Base-Base interactions energy: -1733.797
where: short stacking energy: -738.650
Base-Backbone interact. energy: -2.748
local terms energy: -732.000759
where:
bonds (distance) C4'-P energy: -128.976
bonds (distance) P-C4' energy: -131.131
flat angles C4'-P-C4' energy: -149.523
flat angles P-C4'-P energy: -96.814
tors. eta vs tors. theta energy: -225.557
Dist. restrs. and SS energy: 14.764 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -2405.960231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2405.960231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2412.568374 (E_RNA)
where:
Base-Base interactions energy: -1676.635
where: short stacking energy: -707.341
Base-Backbone interact. energy: -1.351
local terms energy: -734.582846
where:
bonds (distance) C4'-P energy: -135.153
bonds (distance) P-C4' energy: -120.317
flat angles C4'-P-C4' energy: -163.855
flat angles P-C4'-P energy: -100.938
tors. eta vs tors. theta energy: -214.321
Dist. restrs. and SS energy: 6.608 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -2311.579176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2311.579176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2326.705194 (E_RNA)
where:
Base-Base interactions energy: -1628.509
where: short stacking energy: -695.369
Base-Backbone interact. energy: -3.628
local terms energy: -694.567864
where:
bonds (distance) C4'-P energy: -116.053
bonds (distance) P-C4' energy: -127.667
flat angles C4'-P-C4' energy: -155.455
flat angles P-C4'-P energy: -89.018
tors. eta vs tors. theta energy: -206.375
Dist. restrs. and SS energy: 15.126 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -2237.841014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2237.841014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2251.825831 (E_RNA)
where:
Base-Base interactions energy: -1556.865
where: short stacking energy: -678.259
Base-Backbone interact. energy: -1.555
local terms energy: -693.406287
where:
bonds (distance) C4'-P energy: -120.783
bonds (distance) P-C4' energy: -130.272
flat angles C4'-P-C4' energy: -144.720
flat angles P-C4'-P energy: -100.046
tors. eta vs tors. theta energy: -197.585
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: 8, replica: 4
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -2093.454101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2093.454101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.169839 (E_RNA)
where:
Base-Base interactions energy: -1489.418
where: short stacking energy: -621.305
Base-Backbone interact. energy: -1.028
local terms energy: -615.723536
where:
bonds (distance) C4'-P energy: -113.868
bonds (distance) P-C4' energy: -99.367
flat angles C4'-P-C4' energy: -127.989
flat angles P-C4'-P energy: -96.086
tors. eta vs tors. theta energy: -178.414
Dist. restrs. and SS energy: 12.716 (S_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: -2019.148096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2019.148096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2048.115834 (E_RNA)
where:
Base-Base interactions energy: -1394.614
where: short stacking energy: -603.569
Base-Backbone interact. energy: -3.209
local terms energy: -650.292675
where:
bonds (distance) C4'-P energy: -129.278
bonds (distance) P-C4' energy: -127.683
flat angles C4'-P-C4' energy: -134.338
flat angles P-C4'-P energy: -84.277
tors. eta vs tors. theta energy: -174.717
Dist. restrs. and SS energy: 28.968 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -1953.443249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.443249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1980.950008 (E_RNA)
where:
Base-Base interactions energy: -1368.048
where: short stacking energy: -548.125
Base-Backbone interact. energy: -2.589
local terms energy: -610.313545
where:
bonds (distance) C4'-P energy: -122.585
bonds (distance) P-C4' energy: -108.569
flat angles C4'-P-C4' energy: -126.859
flat angles P-C4'-P energy: -91.556
tors. eta vs tors. theta energy: -160.744
Dist. restrs. and SS energy: 27.507 (S_DIST_RNA)
chem. 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: -2669.824312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2669.824312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2676.853987 (E_RNA)
where:
Base-Base interactions energy: -1879.185
where: short stacking energy: -786.197
Base-Backbone interact. energy: -5.021
local terms energy: -792.648034
where:
bonds (distance) C4'-P energy: -150.815
bonds (distance) P-C4' energy: -149.201
flat angles C4'-P-C4' energy: -160.756
flat angles P-C4'-P energy: -110.296
tors. eta vs tors. theta energy: -221.580
Dist. restrs. and SS energy: 7.030 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -2594.508494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2594.508494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2599.922540 (E_RNA)
where:
Base-Base interactions energy: -1796.126
where: short stacking energy: -755.018
Base-Backbone interact. energy: -3.195
local terms energy: -800.601254
where:
bonds (distance) C4'-P energy: -151.499
bonds (distance) P-C4' energy: -151.929
flat angles C4'-P-C4' energy: -163.574
flat angles P-C4'-P energy: -115.409
tors. eta vs tors. theta energy: -218.191
Dist. restrs. and SS energy: 5.414 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -2495.367402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2495.367402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2503.322738 (E_RNA)
where:
Base-Base interactions energy: -1739.002
where: short stacking energy: -753.272
Base-Backbone interact. energy: -0.745
local terms energy: -763.576316
where:
bonds (distance) C4'-P energy: -135.950
bonds (distance) P-C4' energy: -138.945
flat angles C4'-P-C4' energy: -169.679
flat angles P-C4'-P energy: -99.366
tors. eta vs tors. theta energy: -219.636
Dist. restrs. and SS energy: 7.955 (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: 2
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -2534.063163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2534.063163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2541.208343 (E_RNA)
where:
Base-Base interactions energy: -1805.361
where: short stacking energy: -748.188
Base-Backbone interact. energy: -1.468
local terms energy: -734.379024
where:
bonds (distance) C4'-P energy: -125.514
bonds (distance) P-C4' energy: -125.947
flat angles C4'-P-C4' energy: -159.398
flat angles P-C4'-P energy: -101.410
tors. eta vs tors. theta energy: -222.110
Dist. restrs. and SS energy: 7.145 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -2428.531434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2428.531434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2434.769847 (E_RNA)
where:
Base-Base interactions energy: -1680.375
where: short stacking energy: -692.619
Base-Backbone interact. energy: -1.531
local terms energy: -752.864464
where:
bonds (distance) C4'-P energy: -144.171
bonds (distance) P-C4' energy: -142.118
flat angles C4'-P-C4' energy: -154.533
flat angles P-C4'-P energy: -101.103
tors. eta vs tors. theta energy: -210.940
Dist. restrs. and SS energy: 6.238 (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: 5
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -2330.372405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2330.372405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2340.238757 (E_RNA)
where:
Base-Base interactions energy: -1656.790
where: short stacking energy: -684.118
Base-Backbone interact. energy: -3.588
local terms energy: -679.860751
where:
bonds (distance) C4'-P energy: -109.586
bonds (distance) P-C4' energy: -116.469
flat angles C4'-P-C4' energy: -148.563
flat angles P-C4'-P energy: -101.967
tors. eta vs tors. theta energy: -203.276
Dist. restrs. and SS energy: 9.866 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -2133.640660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2133.640660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2146.023115 (E_RNA)
where:
Base-Base interactions energy: -1519.193
where: short stacking energy: -623.964
Base-Backbone interact. energy: 1.082
local terms energy: -627.911272
where:
bonds (distance) C4'-P energy: -110.231
bonds (distance) P-C4' energy: -123.211
flat angles C4'-P-C4' energy: -133.042
flat angles P-C4'-P energy: -90.394
tors. eta vs tors. theta energy: -171.034
Dist. restrs. and SS energy: 12.382 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -2179.338436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2179.338436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2186.355597 (E_RNA)
where:
Base-Base interactions energy: -1535.615
where: short stacking energy: -617.896
Base-Backbone interact. energy: -1.445
local terms energy: -649.295965
where:
bonds (distance) C4'-P energy: -122.807
bonds (distance) P-C4' energy: -109.378
flat angles C4'-P-C4' energy: -147.029
flat angles P-C4'-P energy: -73.850
tors. eta vs tors. theta energy: -196.232
Dist. restrs. and SS energy: 7.017 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -2044.470608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2044.470608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2066.023902 (E_RNA)
where:
Base-Base interactions energy: -1457.974
where: short stacking energy: -605.190
Base-Backbone interact. energy: -2.389
local terms energy: -605.661407
where:
bonds (distance) C4'-P energy: -114.331
bonds (distance) P-C4' energy: -104.455
flat angles C4'-P-C4' energy: -126.127
flat angles P-C4'-P energy: -80.323
tors. eta vs tors. theta energy: -180.425
Dist. restrs. and SS energy: 21.553 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -1963.856270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1963.856270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1983.449974 (E_RNA)
where:
Base-Base interactions energy: -1394.808
where: short stacking energy: -582.448
Base-Backbone interact. energy: -1.139
local terms energy: -587.503210
where:
bonds (distance) C4'-P energy: -100.086
bonds (distance) P-C4' energy: -115.714
flat angles C4'-P-C4' energy: -132.050
flat angles P-C4'-P energy: -76.608
tors. eta vs tors. theta energy: -163.046
Dist. restrs. and SS energy: 19.594 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -2671.846980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2671.846980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2680.065208 (E_RNA)
where:
Base-Base interactions energy: -1852.745
where: short stacking energy: -782.244
Base-Backbone interact. energy: -1.047
local terms energy: -826.272873
where:
bonds (distance) C4'-P energy: -146.755
bonds (distance) P-C4' energy: -149.218
flat angles C4'-P-C4' energy: -164.919
flat angles P-C4'-P energy: -129.754
tors. eta vs tors. theta energy: -235.627
Dist. restrs. and SS energy: 8.218 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -2588.737538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2588.737538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2593.535597 (E_RNA)
where:
Base-Base interactions energy: -1792.812
where: short stacking energy: -755.221
Base-Backbone interact. energy: -2.912
local terms energy: -797.811278
where:
bonds (distance) C4'-P energy: -134.799
bonds (distance) P-C4' energy: -152.155
flat angles C4'-P-C4' energy: -172.929
flat angles P-C4'-P energy: -116.577
tors. eta vs tors. theta energy: -221.351
Dist. restrs. and SS energy: 4.798 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -2514.785347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2514.785347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2521.513623 (E_RNA)
where:
Base-Base interactions energy: -1754.849
where: short stacking energy: -749.890
Base-Backbone interact. energy: -4.416
local terms energy: -762.248792
where:
bonds (distance) C4'-P energy: -119.742
bonds (distance) P-C4' energy: -144.798
flat angles C4'-P-C4' energy: -160.334
flat angles P-C4'-P energy: -100.264
tors. eta vs tors. theta energy: -237.112
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: 4, replica: 9
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -2481.473546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2481.473546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2489.162453 (E_RNA)
where:
Base-Base interactions energy: -1738.365
where: short stacking energy: -711.060
Base-Backbone interact. energy: -0.983
local terms energy: -749.814991
where:
bonds (distance) C4'-P energy: -145.157
bonds (distance) P-C4' energy: -132.459
flat angles C4'-P-C4' energy: -152.395
flat angles P-C4'-P energy: -93.441
tors. eta vs tors. theta energy: -226.363
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: 5, replica: 2
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -2463.773465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2463.773465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2473.549833 (E_RNA)
where:
Base-Base interactions energy: -1732.499
where: short stacking energy: -739.208
Base-Backbone interact. energy: -3.943
local terms energy: -737.108444
where:
bonds (distance) C4'-P energy: -127.677
bonds (distance) P-C4' energy: -117.888
flat angles C4'-P-C4' energy: -160.103
flat angles P-C4'-P energy: -107.641
tors. eta vs tors. theta energy: -223.799
Dist. restrs. and SS energy: 9.776 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -2295.873927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2295.873927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2310.366429 (E_RNA)
where:
Base-Base interactions energy: -1628.725
where: short stacking energy: -675.574
Base-Backbone interact. energy: -1.042
local terms energy: -680.599493
where:
bonds (distance) C4'-P energy: -118.138
bonds (distance) P-C4' energy: -120.673
flat angles C4'-P-C4' energy: -149.422
flat angles P-C4'-P energy: -103.701
tors. eta vs tors. theta energy: -188.665
Dist. restrs. and SS energy: 14.493 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -2158.460000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2158.460000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2171.875432 (E_RNA)
where:
Base-Base interactions energy: -1518.346
where: short stacking energy: -639.443
Base-Backbone interact. energy: -0.845
local terms energy: -652.684469
where:
bonds (distance) C4'-P energy: -118.777
bonds (distance) P-C4' energy: -120.737
flat angles C4'-P-C4' energy: -153.688
flat angles P-C4'-P energy: -81.194
tors. eta vs tors. theta energy: -178.288
Dist. restrs. and SS energy: 13.415 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -2135.204844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2135.204844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2149.955722 (E_RNA)
where:
Base-Base interactions energy: -1503.742
where: short stacking energy: -630.858
Base-Backbone interact. energy: -2.405
local terms energy: -643.808649
where:
bonds (distance) C4'-P energy: -110.578
bonds (distance) P-C4' energy: -135.264
flat angles C4'-P-C4' energy: -136.568
flat angles P-C4'-P energy: -72.763
tors. eta vs tors. theta energy: -188.636
Dist. restrs. and SS energy: 14.751 (S_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: 87
Temperature: 1.300000
Total energy: -2092.865771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2092.865771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.435986 (E_RNA)
where:
Base-Base interactions energy: -1485.317
where: short stacking energy: -607.869
Base-Backbone interact. energy: -2.079
local terms energy: -619.039565
where:
bonds (distance) C4'-P energy: -130.793
bonds (distance) P-C4' energy: -106.604
flat angles C4'-P-C4' energy: -120.985
flat angles P-C4'-P energy: -83.350
tors. eta vs tors. theta energy: -177.308
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: 10, replica: 3
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -1991.762298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1991.762298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2013.211689 (E_RNA)
where:
Base-Base interactions energy: -1419.764
where: short stacking energy: -598.746
Base-Backbone interact. energy: -3.856
local terms energy: -589.592001
where:
bonds (distance) C4'-P energy: -80.098
bonds (distance) P-C4' energy: -113.547
flat angles C4'-P-C4' energy: -126.743
flat angles P-C4'-P energy: -74.754
tors. eta vs tors. theta energy: -194.450
Dist. restrs. and SS energy: 21.449 (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: 10
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -2678.314589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2678.314589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2684.121518 (E_RNA)
where:
Base-Base interactions energy: -1882.173
where: short stacking energy: -778.869
Base-Backbone interact. energy: -5.072
local terms energy: -796.876727
where:
bonds (distance) C4'-P energy: -137.891
bonds (distance) P-C4' energy: -151.488
flat angles C4'-P-C4' energy: -163.474
flat angles P-C4'-P energy: -112.327
tors. eta vs tors. theta energy: -231.697
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: 2, replica: 8
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -2560.091230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2560.091230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2565.470094 (E_RNA)
where:
Base-Base interactions energy: -1763.905
where: short stacking energy: -739.801
Base-Backbone interact. energy: -2.565
local terms energy: -798.999779
where:
bonds (distance) C4'-P energy: -148.521
bonds (distance) P-C4' energy: -157.367
flat angles C4'-P-C4' energy: -154.955
flat angles P-C4'-P energy: -115.668
tors. eta vs tors. theta energy: -222.489
Dist. restrs. and SS energy: 5.379 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -2538.279387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2538.279387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2553.008862 (E_RNA)
where:
Base-Base interactions energy: -1778.398
where: short stacking energy: -773.812
Base-Backbone interact. energy: -4.977
local terms energy: -769.633714
where:
bonds (distance) C4'-P energy: -132.198
bonds (distance) P-C4' energy: -140.552
flat angles C4'-P-C4' energy: -173.322
flat angles P-C4'-P energy: -92.534
tors. eta vs tors. theta energy: -231.029
Dist. restrs. and SS energy: 14.729 (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: 9
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -2528.269985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2528.269985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2535.028680 (E_RNA)
where:
Base-Base interactions energy: -1757.956
where: short stacking energy: -726.458
Base-Backbone interact. energy: -3.366
local terms energy: -773.707379
where:
bonds (distance) C4'-P energy: -133.744
bonds (distance) P-C4' energy: -152.290
flat angles C4'-P-C4' energy: -156.038
flat angles P-C4'-P energy: -100.485
tors. eta vs tors. theta energy: -231.150
Dist. restrs. and SS energy: 6.759 (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: 88
Temperature: 1.100000
Total energy: -2469.055901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2469.055901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2474.893119 (E_RNA)
where:
Base-Base interactions energy: -1729.607
where: short stacking energy: -716.016
Base-Backbone interact. energy: -1.321
local terms energy: -743.965385
where:
bonds (distance) C4'-P energy: -129.990
bonds (distance) P-C4' energy: -128.733
flat angles C4'-P-C4' energy: -164.425
flat angles P-C4'-P energy: -101.692
tors. eta vs tors. theta energy: -219.125
Dist. restrs. and SS energy: 5.837 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -2313.510940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2313.510940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2323.932180 (E_RNA)
where:
Base-Base interactions energy: -1649.798
where: short stacking energy: -674.718
Base-Backbone interact. energy: -0.593
local terms energy: -673.541243
where:
bonds (distance) C4'-P energy: -111.968
bonds (distance) P-C4' energy: -128.174
flat angles C4'-P-C4' energy: -137.342
flat angles P-C4'-P energy: -92.108
tors. eta vs tors. theta energy: -203.949
Dist. restrs. and SS energy: 10.421 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -2238.319666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2238.319666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2249.694808 (E_RNA)
where:
Base-Base interactions energy: -1546.191
where: short stacking energy: -647.625
Base-Backbone interact. energy: -3.159
local terms energy: -700.345219
where:
bonds (distance) C4'-P energy: -133.408
bonds (distance) P-C4' energy: -123.628
flat angles C4'-P-C4' energy: -148.635
flat angles P-C4'-P energy: -103.105
tors. eta vs tors. theta energy: -191.569
Dist. restrs. and SS energy: 11.375 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -2094.412603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2094.412603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2112.902564 (E_RNA)
where:
Base-Base interactions energy: -1461.062
where: short stacking energy: -592.615
Base-Backbone interact. energy: -1.218
local terms energy: -650.622834
where:
bonds (distance) C4'-P energy: -119.083
bonds (distance) P-C4' energy: -125.377
flat angles C4'-P-C4' energy: -143.406
flat angles P-C4'-P energy: -83.587
tors. eta vs tors. theta energy: -179.169
Dist. restrs. and SS energy: 18.490 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -2089.726163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2089.726163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2110.951300 (E_RNA)
where:
Base-Base interactions energy: -1466.138
where: short stacking energy: -611.132
Base-Backbone interact. energy: 2.959
local terms energy: -647.771944
where:
bonds (distance) C4'-P energy: -125.216
bonds (distance) P-C4' energy: -115.755
flat angles C4'-P-C4' energy: -138.225
flat angles P-C4'-P energy: -91.980
tors. eta vs tors. theta energy: -176.597
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: 10, replica: 3
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -1956.385299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.385299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1982.189416 (E_RNA)
where:
Base-Base interactions energy: -1385.317
where: short stacking energy: -569.059
Base-Backbone interact. energy: -3.426
local terms energy: -593.446634
where:
bonds (distance) C4'-P energy: -100.252
bonds (distance) P-C4' energy: -119.482
flat angles C4'-P-C4' energy: -131.833
flat angles P-C4'-P energy: -79.393
tors. eta vs tors. theta energy: -162.486
Dist. restrs. and SS energy: 25.804 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -2672.695804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2672.695804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2679.250075 (E_RNA)
where:
Base-Base interactions energy: -1867.400
where: short stacking energy: -785.461
Base-Backbone interact. energy: -1.344
local terms energy: -810.506444
where:
bonds (distance) C4'-P energy: -135.520
bonds (distance) P-C4' energy: -150.680
flat angles C4'-P-C4' energy: -169.446
flat angles P-C4'-P energy: -116.960
tors. eta vs tors. theta energy: -237.900
Dist. restrs. and SS energy: 6.554 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -2599.290137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2599.290137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2604.206367 (E_RNA)
where:
Base-Base interactions energy: -1809.594
where: short stacking energy: -754.357
Base-Backbone interact. energy: -1.873
local terms energy: -792.739748
where:
bonds (distance) C4'-P energy: -139.132
bonds (distance) P-C4' energy: -147.895
flat angles C4'-P-C4' energy: -172.404
flat angles P-C4'-P energy: -104.515
tors. eta vs tors. theta energy: -228.795
Dist. restrs. and SS energy: 4.916 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -2517.476298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2517.476298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2528.246596 (E_RNA)
where:
Base-Base interactions energy: -1757.648
where: short stacking energy: -753.692
Base-Backbone interact. energy: -3.992
local terms energy: -766.607098
where:
bonds (distance) C4'-P energy: -144.668
bonds (distance) P-C4' energy: -134.158
flat angles C4'-P-C4' energy: -162.381
flat angles P-C4'-P energy: -100.062
tors. eta vs tors. theta energy: -225.338
Dist. restrs. and SS energy: 10.770 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -2493.770688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2493.770688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2501.948691 (E_RNA)
where:
Base-Base interactions energy: -1751.556
where: short stacking energy: -746.534
Base-Backbone interact. energy: -2.870
local terms energy: -747.522566
where:
bonds (distance) C4'-P energy: -113.523
bonds (distance) P-C4' energy: -121.406
flat angles C4'-P-C4' energy: -160.582
flat angles P-C4'-P energy: -119.044
tors. eta vs tors. theta energy: -232.968
Dist. restrs. and SS energy: 8.178 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -2464.692130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2464.692130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2472.279879 (E_RNA)
where:
Base-Base interactions energy: -1715.253
where: short stacking energy: -704.634
Base-Backbone interact. energy: -1.959
local terms energy: -755.067799
where:
bonds (distance) C4'-P energy: -134.553
bonds (distance) P-C4' energy: -137.463
flat angles C4'-P-C4' energy: -152.523
flat angles P-C4'-P energy: -118.781
tors. eta vs tors. theta energy: -211.748
Dist. restrs. and SS energy: 7.588 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -2268.822932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2268.822932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2280.761162 (E_RNA)
where:
Base-Base interactions energy: -1582.848
where: short stacking energy: -669.303
Base-Backbone interact. energy: -1.834
local terms energy: -696.078366
where:
bonds (distance) C4'-P energy: -129.995
bonds (distance) P-C4' energy: -113.219
flat angles C4'-P-C4' energy: -161.412
flat angles P-C4'-P energy: -97.435
tors. eta vs tors. theta energy: -194.018
Dist. restrs. and SS energy: 11.938 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -2194.062267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2194.062267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2207.134189 (E_RNA)
where:
Base-Base interactions energy: -1568.468
where: short stacking energy: -650.787
Base-Backbone interact. energy: -0.054
local terms energy: -638.611896
where:
bonds (distance) C4'-P energy: -114.689
bonds (distance) P-C4' energy: -123.082
flat angles C4'-P-C4' energy: -127.094
flat angles P-C4'-P energy: -81.803
tors. eta vs tors. theta energy: -191.944
Dist. restrs. and SS energy: 13.072 (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: 4
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -2090.091457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2090.091457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.089718 (E_RNA)
where:
Base-Base interactions energy: -1456.565
where: short stacking energy: -598.231
Base-Backbone interact. energy: -2.290
local terms energy: -647.234755
where:
bonds (distance) C4'-P energy: -120.890
bonds (distance) P-C4' energy: -128.932
flat angles C4'-P-C4' energy: -136.905
flat angles P-C4'-P energy: -84.140
tors. eta vs tors. theta energy: -176.368
Dist. restrs. and SS energy: 15.998 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -2032.045031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2032.045031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2051.258948 (E_RNA)
where:
Base-Base interactions energy: -1412.424
where: short stacking energy: -578.213
Base-Backbone interact. energy: -0.455
local terms energy: -638.379776
where:
bonds (distance) C4'-P energy: -109.602
bonds (distance) P-C4' energy: -119.998
flat angles C4'-P-C4' energy: -159.611
flat angles P-C4'-P energy: -81.460
tors. eta vs tors. theta energy: -167.708
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: 89
Temperature: 1.350000
Total energy: -1922.992311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.992311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.278918 (E_RNA)
where:
Base-Base interactions energy: -1384.218
where: short stacking energy: -574.325
Base-Backbone interact. energy: -2.101
local terms energy: -555.959526
where:
bonds (distance) C4'-P energy: -100.187
bonds (distance) P-C4' energy: -100.085
flat angles C4'-P-C4' energy: -132.046
flat angles P-C4'-P energy: -65.769
tors. eta vs tors. theta energy: -157.872
Dist. restrs. and SS energy: 19.287 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -2641.687162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2641.687162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2646.699544 (E_RNA)
where:
Base-Base interactions energy: -1835.146
where: short stacking energy: -791.748
Base-Backbone interact. energy: -3.226
local terms energy: -808.327965
where:
bonds (distance) C4'-P energy: -136.741
bonds (distance) P-C4' energy: -154.056
flat angles C4'-P-C4' energy: -173.021
flat angles P-C4'-P energy: -108.328
tors. eta vs tors. theta energy: -236.181
Dist. restrs. and SS energy: 5.012 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -2582.428736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2582.428736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2588.803798 (E_RNA)
where:
Base-Base interactions energy: -1792.446
where: short stacking energy: -771.024
Base-Backbone interact. energy: -4.445
local terms energy: -791.912670
where:
bonds (distance) C4'-P energy: -129.149
bonds (distance) P-C4' energy: -147.951
flat angles C4'-P-C4' energy: -163.690
flat angles P-C4'-P energy: -118.083
tors. eta vs tors. theta energy: -233.039
Dist. restrs. and SS energy: 6.375 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -2523.943721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2523.943721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2534.742470 (E_RNA)
where:
Base-Base interactions energy: -1773.138
where: short stacking energy: -746.565
Base-Backbone interact. energy: -3.544
local terms energy: -758.060525
where:
bonds (distance) C4'-P energy: -122.887
bonds (distance) P-C4' energy: -140.204
flat angles C4'-P-C4' energy: -149.193
flat angles P-C4'-P energy: -120.219
tors. eta vs tors. theta energy: -225.559
Dist. restrs. and SS energy: 10.799 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -2514.300896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2514.300896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2518.635410 (E_RNA)
where:
Base-Base interactions energy: -1767.232
where: short stacking energy: -732.032
Base-Backbone interact. energy: -2.675
local terms energy: -748.727945
where:
bonds (distance) C4'-P energy: -120.581
bonds (distance) P-C4' energy: -148.398
flat angles C4'-P-C4' energy: -156.990
flat angles P-C4'-P energy: -104.098
tors. eta vs tors. theta energy: -218.662
Dist. restrs. and SS energy: 4.335 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -2427.445016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2427.445016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2431.440100 (E_RNA)
where:
Base-Base interactions energy: -1702.159
where: short stacking energy: -708.170
Base-Backbone interact. energy: -2.514
local terms energy: -726.766462
where:
bonds (distance) C4'-P energy: -133.855
bonds (distance) P-C4' energy: -134.420
flat angles C4'-P-C4' energy: -145.791
flat angles P-C4'-P energy: -103.913
tors. eta vs tors. theta energy: -208.788
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: 6, replica: 5
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -2281.267567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2281.267567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2293.060996 (E_RNA)
where:
Base-Base interactions energy: -1586.138
where: short stacking energy: -680.400
Base-Backbone interact. energy: -1.777
local terms energy: -705.145785
where:
bonds (distance) C4'-P energy: -120.645
bonds (distance) P-C4' energy: -143.047
flat angles C4'-P-C4' energy: -152.224
flat angles P-C4'-P energy: -91.122
tors. eta vs tors. theta energy: -198.108
Dist. restrs. and SS energy: 11.793 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -2248.456421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2248.456421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2257.082382 (E_RNA)
where:
Base-Base interactions energy: -1591.237
where: short stacking energy: -665.643
Base-Backbone interact. energy: -5.003
local terms energy: -660.842615
where:
bonds (distance) C4'-P energy: -123.345
bonds (distance) P-C4' energy: -119.697
flat angles C4'-P-C4' energy: -126.739
flat angles P-C4'-P energy: -90.253
tors. eta vs tors. theta energy: -200.808
Dist. restrs. and SS energy: 8.626 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -2100.985770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2100.985770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2117.089143 (E_RNA)
where:
Base-Base interactions energy: -1444.475
where: short stacking energy: -615.219
Base-Backbone interact. energy: -1.880
local terms energy: -670.733963
where:
bonds (distance) C4'-P energy: -127.203
bonds (distance) P-C4' energy: -127.847
flat angles C4'-P-C4' energy: -141.540
flat angles P-C4'-P energy: -86.517
tors. eta vs tors. theta energy: -187.627
Dist. restrs. and SS energy: 16.103 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -2046.653685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2046.653685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2067.504253 (E_RNA)
where:
Base-Base interactions energy: -1447.727
where: short stacking energy: -602.868
Base-Backbone interact. energy: 5.105
local terms energy: -624.882278
where:
bonds (distance) C4'-P energy: -108.377
bonds (distance) P-C4' energy: -134.654
flat angles C4'-P-C4' energy: -130.268
flat angles P-C4'-P energy: -71.688
tors. eta vs tors. theta energy: -179.894
Dist. restrs. and SS energy: 20.851 (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: 90
Temperature: 1.350000
Total energy: -2006.908819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2006.908819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2032.393624 (E_RNA)
where:
Base-Base interactions energy: -1372.634
where: short stacking energy: -571.638
Base-Backbone interact. energy: -3.408
local terms energy: -656.352262
where:
bonds (distance) C4'-P energy: -115.179
bonds (distance) P-C4' energy: -121.527
flat angles C4'-P-C4' energy: -149.358
flat angles P-C4'-P energy: -92.483
tors. eta vs tors. theta energy: -177.806
Dist. restrs. and SS energy: 25.485 (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: 10
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -2699.624344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2699.624344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2704.670800 (E_RNA)
where:
Base-Base interactions energy: -1897.067
where: short stacking energy: -809.023
Base-Backbone interact. energy: 1.126
local terms energy: -808.730095
where:
bonds (distance) C4'-P energy: -123.931
bonds (distance) P-C4' energy: -157.857
flat angles C4'-P-C4' energy: -176.272
flat angles P-C4'-P energy: -106.918
tors. eta vs tors. theta energy: -243.751
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: 7
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -2589.937233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2589.937233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2604.845751 (E_RNA)
where:
Base-Base interactions energy: -1817.342
where: short stacking energy: -789.147
Base-Backbone interact. energy: 2.103
local terms energy: -789.606649
where:
bonds (distance) C4'-P energy: -138.739
bonds (distance) P-C4' energy: -131.085
flat angles C4'-P-C4' energy: -171.979
flat angles P-C4'-P energy: -110.376
tors. eta vs tors. theta energy: -237.427
Dist. restrs. and SS energy: 14.909 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -2512.845777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2512.845777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2518.763464 (E_RNA)
where:
Base-Base interactions energy: -1759.088
where: short stacking energy: -743.759
Base-Backbone interact. energy: -2.126
local terms energy: -757.549127
where:
bonds (distance) C4'-P energy: -125.817
bonds (distance) P-C4' energy: -127.655
flat angles C4'-P-C4' energy: -163.684
flat angles P-C4'-P energy: -124.352
tors. eta vs tors. theta energy: -216.043
Dist. restrs. and SS energy: 5.918 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -2484.915151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2484.915151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2491.847117 (E_RNA)
where:
Base-Base interactions energy: -1744.133
where: short stacking energy: -732.601
Base-Backbone interact. energy: -4.703
local terms energy: -743.010344
where:
bonds (distance) C4'-P energy: -119.813
bonds (distance) P-C4' energy: -142.691
flat angles C4'-P-C4' energy: -154.482
flat angles P-C4'-P energy: -107.955
tors. eta vs tors. theta energy: -218.069
Dist. restrs. and SS energy: 6.932 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -2478.949949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2478.949949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2485.605948 (E_RNA)
where:
Base-Base interactions energy: -1767.243
where: short stacking energy: -743.111
Base-Backbone interact. energy: 1.955
local terms energy: -720.317629
where:
bonds (distance) C4'-P energy: -124.532
bonds (distance) P-C4' energy: -128.020
flat angles C4'-P-C4' energy: -151.053
flat angles P-C4'-P energy: -96.335
tors. eta vs tors. theta energy: -220.377
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: 6, replica: 5
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -2321.149454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2321.149454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2331.432800 (E_RNA)
where:
Base-Base interactions energy: -1609.906
where: short stacking energy: -693.153
Base-Backbone interact. energy: -0.546
local terms energy: -720.980751
where:
bonds (distance) C4'-P energy: -136.086
bonds (distance) P-C4' energy: -130.331
flat angles C4'-P-C4' energy: -154.326
flat angles P-C4'-P energy: -97.876
tors. eta vs tors. theta energy: -202.361
Dist. restrs. and SS energy: 10.283 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -2215.658188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2215.658188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2228.439062 (E_RNA)
where:
Base-Base interactions energy: -1528.474
where: short stacking energy: -661.494
Base-Backbone interact. energy: -3.405
local terms energy: -696.560227
where:
bonds (distance) C4'-P energy: -128.707
bonds (distance) P-C4' energy: -135.669
flat angles C4'-P-C4' energy: -140.514
flat angles P-C4'-P energy: -89.108
tors. eta vs tors. theta energy: -202.562
Dist. restrs. and SS energy: 12.781 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -2174.867539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2174.867539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2194.390656 (E_RNA)
where:
Base-Base interactions energy: -1500.625
where: short stacking energy: -632.364
Base-Backbone interact. energy: -3.610
local terms energy: -690.155193
where:
bonds (distance) C4'-P energy: -128.594
bonds (distance) P-C4' energy: -130.476
flat angles C4'-P-C4' energy: -157.859
flat angles P-C4'-P energy: -85.148
tors. eta vs tors. theta energy: -188.078
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: 1
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -2035.030588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2035.030588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2062.667061 (E_RNA)
where:
Base-Base interactions energy: -1399.028
where: short stacking energy: -596.045
Base-Backbone interact. energy: -6.475
local terms energy: -657.164280
where:
bonds (distance) C4'-P energy: -106.015
bonds (distance) P-C4' energy: -127.313
flat angles C4'-P-C4' energy: -141.078
flat angles P-C4'-P energy: -93.770
tors. eta vs tors. theta energy: -188.989
Dist. restrs. and SS energy: 27.636 (S_DIST_RNA)
chem. 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: -2043.963047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2043.963047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2055.993552 (E_RNA)
where:
Base-Base interactions energy: -1432.769
where: short stacking energy: -590.857
Base-Backbone interact. energy: -1.384
local terms energy: -621.840101
where:
bonds (distance) C4'-P energy: -108.242
bonds (distance) P-C4' energy: -113.942
flat angles C4'-P-C4' energy: -125.829
flat angles P-C4'-P energy: -83.291
tors. eta vs tors. theta energy: -190.536
Dist. restrs. and SS energy: 12.031 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -2685.061010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2685.061010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2690.312263 (E_RNA)
where:
Base-Base interactions energy: -1843.105
where: short stacking energy: -773.903
Base-Backbone interact. energy: -2.289
local terms energy: -844.918210
where:
bonds (distance) C4'-P energy: -157.665
bonds (distance) P-C4' energy: -162.669
flat angles C4'-P-C4' energy: -173.137
flat angles P-C4'-P energy: -118.538
tors. eta vs tors. theta energy: -232.909
Dist. restrs. and SS energy: 5.251 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -2594.072269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2594.072269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2607.039497 (E_RNA)
where:
Base-Base interactions energy: -1788.330
where: short stacking energy: -759.619
Base-Backbone interact. energy: -4.105
local terms energy: -814.605184
where:
bonds (distance) C4'-P energy: -130.700
bonds (distance) P-C4' energy: -150.248
flat angles C4'-P-C4' energy: -166.877
flat angles P-C4'-P energy: -127.233
tors. eta vs tors. theta energy: -239.547
Dist. restrs. and SS energy: 12.967 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -2496.092886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2496.092886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2503.861391 (E_RNA)
where:
Base-Base interactions energy: -1747.622
where: short stacking energy: -733.974
Base-Backbone interact. energy: -2.395
local terms energy: -753.845167
where:
bonds (distance) C4'-P energy: -135.398
bonds (distance) P-C4' energy: -157.756
flat angles C4'-P-C4' energy: -157.365
flat angles P-C4'-P energy: -93.063
tors. eta vs tors. theta energy: -210.263
Dist. restrs. and SS energy: 7.769 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -2478.443384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2478.443384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2485.736803 (E_RNA)
where:
Base-Base interactions energy: -1748.557
where: short stacking energy: -747.307
Base-Backbone interact. energy: -2.726
local terms energy: -734.453748
where:
bonds (distance) C4'-P energy: -139.008
bonds (distance) P-C4' energy: -113.761
flat angles C4'-P-C4' energy: -165.053
flat angles P-C4'-P energy: -100.087
tors. eta vs tors. theta energy: -216.544
Dist. restrs. and SS energy: 7.293 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -2493.593208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2493.593208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2501.703506 (E_RNA)
where:
Base-Base interactions energy: -1737.103
where: short stacking energy: -726.196
Base-Backbone interact. energy: -1.431
local terms energy: -763.170095
where:
bonds (distance) C4'-P energy: -138.048
bonds (distance) P-C4' energy: -127.126
flat angles C4'-P-C4' energy: -157.596
flat angles P-C4'-P energy: -113.472
tors. eta vs tors. theta energy: -226.928
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: 6, replica: 5
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -2295.735949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2295.735949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2310.519726 (E_RNA)
where:
Base-Base interactions energy: -1601.235
where: short stacking energy: -667.051
Base-Backbone interact. energy: 5.372
local terms energy: -714.656883
where:
bonds (distance) C4'-P energy: -139.486
bonds (distance) P-C4' energy: -136.882
flat angles C4'-P-C4' energy: -151.647
flat angles P-C4'-P energy: -86.581
tors. eta vs tors. theta energy: -200.060
Dist. restrs. and SS energy: 14.784 (S_DIST_RNA)
chem. 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: -2193.276791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2193.276791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2202.097276 (E_RNA)
where:
Base-Base interactions energy: -1554.190
where: short stacking energy: -682.454
Base-Backbone interact. energy: -3.526
local terms energy: -644.381289
where:
bonds (distance) C4'-P energy: -107.591
bonds (distance) P-C4' energy: -133.599
flat angles C4'-P-C4' energy: -131.842
flat angles P-C4'-P energy: -88.018
tors. eta vs tors. theta energy: -183.331
Dist. restrs. and SS energy: 8.820 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -2117.941115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2117.941115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2135.984571 (E_RNA)
where:
Base-Base interactions energy: -1473.664
where: short stacking energy: -648.110
Base-Backbone interact. energy: 1.745
local terms energy: -664.065739
where:
bonds (distance) C4'-P energy: -111.577
bonds (distance) P-C4' energy: -129.089
flat angles C4'-P-C4' energy: -147.131
flat angles P-C4'-P energy: -78.835
tors. eta vs tors. theta energy: -197.434
Dist. restrs. and SS energy: 18.043 (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: 1
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -2025.157556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2025.157556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2042.830133 (E_RNA)
where:
Base-Base interactions energy: -1426.319
where: short stacking energy: -610.921
Base-Backbone interact. energy: -2.363
local terms energy: -614.148413
where:
bonds (distance) C4'-P energy: -100.489
bonds (distance) P-C4' energy: -109.489
flat angles C4'-P-C4' energy: -136.902
flat angles P-C4'-P energy: -87.725
tors. eta vs tors. theta energy: -179.544
Dist. restrs. and SS energy: 17.673 (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: 92
Temperature: 1.350000
Total energy: -2032.754810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2032.754810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2049.379280 (E_RNA)
where:
Base-Base interactions energy: -1455.176
where: short stacking energy: -603.487
Base-Backbone interact. energy: -0.992
local terms energy: -593.211720
where:
bonds (distance) C4'-P energy: -104.324
bonds (distance) P-C4' energy: -108.215
flat angles C4'-P-C4' energy: -123.257
flat angles P-C4'-P energy: -76.085
tors. eta vs tors. theta energy: -181.331
Dist. restrs. and SS energy: 16.624 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -2680.794049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2680.794049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2685.942564 (E_RNA)
where:
Base-Base interactions energy: -1883.118
where: short stacking energy: -787.082
Base-Backbone interact. energy: -4.948
local terms energy: -797.876607
where:
bonds (distance) C4'-P energy: -135.712
bonds (distance) P-C4' energy: -148.119
flat angles C4'-P-C4' energy: -157.252
flat angles P-C4'-P energy: -115.671
tors. eta vs tors. theta energy: -241.123
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: 7
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -2597.755455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2597.755455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2609.095350 (E_RNA)
where:
Base-Base interactions energy: -1814.359
where: short stacking energy: -769.839
Base-Backbone interact. energy: 0.377
local terms energy: -795.112832
where:
bonds (distance) C4'-P energy: -133.206
bonds (distance) P-C4' energy: -154.804
flat angles C4'-P-C4' energy: -170.000
flat angles P-C4'-P energy: -109.800
tors. eta vs tors. theta energy: -227.303
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: 3, replica: 8
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -2531.833840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2531.833840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2540.008848 (E_RNA)
where:
Base-Base interactions energy: -1759.125
where: short stacking energy: -737.374
Base-Backbone interact. energy: -3.132
local terms energy: -777.751821
where:
bonds (distance) C4'-P energy: -141.137
bonds (distance) P-C4' energy: -151.439
flat angles C4'-P-C4' energy: -163.918
flat angles P-C4'-P energy: -102.148
tors. eta vs tors. theta energy: -219.110
Dist. restrs. and SS energy: 8.175 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -2493.857641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2493.857641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2500.987369 (E_RNA)
where:
Base-Base interactions energy: -1738.435
where: short stacking energy: -722.096
Base-Backbone interact. energy: -2.188
local terms energy: -760.363682
where:
bonds (distance) C4'-P energy: -134.944
bonds (distance) P-C4' energy: -145.886
flat angles C4'-P-C4' energy: -150.202
flat angles P-C4'-P energy: -105.397
tors. eta vs tors. theta energy: -223.935
Dist. restrs. and SS energy: 7.130 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -2440.770600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2440.770600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2445.074937 (E_RNA)
where:
Base-Base interactions energy: -1709.975
where: short stacking energy: -708.798
Base-Backbone interact. energy: -1.785
local terms energy: -733.314766
where:
bonds (distance) C4'-P energy: -120.456
bonds (distance) P-C4' energy: -133.588
flat angles C4'-P-C4' energy: -155.522
flat angles P-C4'-P energy: -103.333
tors. eta vs tors. theta energy: -220.415
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: 6, replica: 5
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -2255.219594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2255.219594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2259.789043 (E_RNA)
where:
Base-Base interactions energy: -1595.010
where: short stacking energy: -664.388
Base-Backbone interact. energy: 2.492
local terms energy: -667.271134
where:
bonds (distance) C4'-P energy: -126.984
bonds (distance) P-C4' energy: -122.946
flat angles C4'-P-C4' energy: -140.241
flat angles P-C4'-P energy: -80.797
tors. eta vs tors. theta energy: -196.303
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: 7, replica: 6
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -2224.045226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2224.045226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2234.065657 (E_RNA)
where:
Base-Base interactions energy: -1573.472
where: short stacking energy: -641.643
Base-Backbone interact. energy: 1.254
local terms energy: -661.847760
where:
bonds (distance) C4'-P energy: -125.215
bonds (distance) P-C4' energy: -110.809
flat angles C4'-P-C4' energy: -150.504
flat angles P-C4'-P energy: -99.778
tors. eta vs tors. theta energy: -175.541
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: 4
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -2119.733534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2119.733534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2136.544035 (E_RNA)
where:
Base-Base interactions energy: -1520.237
where: short stacking energy: -621.667
Base-Backbone interact. energy: -0.588
local terms energy: -615.719276
where:
bonds (distance) C4'-P energy: -113.991
bonds (distance) P-C4' energy: -112.842
flat angles C4'-P-C4' energy: -133.827
flat angles P-C4'-P energy: -79.960
tors. eta vs tors. theta energy: -175.099
Dist. restrs. and SS energy: 16.811 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -2060.875352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2060.875352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2076.598307 (E_RNA)
where:
Base-Base interactions energy: -1477.373
where: short stacking energy: -612.274
Base-Backbone interact. energy: -1.932
local terms energy: -597.293287
where:
bonds (distance) C4'-P energy: -107.805
bonds (distance) P-C4' energy: -101.468
flat angles C4'-P-C4' energy: -130.417
flat angles P-C4'-P energy: -89.802
tors. eta vs tors. theta energy: -167.800
Dist. restrs. and SS energy: 15.723 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -2031.872701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2031.872701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2050.579561 (E_RNA)
where:
Base-Base interactions energy: -1436.281
where: short stacking energy: -597.029
Base-Backbone interact. energy: -2.497
local terms energy: -611.801728
where:
bonds (distance) C4'-P energy: -114.774
bonds (distance) P-C4' energy: -107.282
flat angles C4'-P-C4' energy: -133.509
flat angles P-C4'-P energy: -87.544
tors. eta vs tors. theta energy: -168.693
Dist. restrs. and SS energy: 18.707 (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: 10
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -2696.770131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2696.770131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2703.239533 (E_RNA)
where:
Base-Base interactions energy: -1894.186
where: short stacking energy: -813.687
Base-Backbone interact. energy: -2.669
local terms energy: -806.384638
where:
bonds (distance) C4'-P energy: -139.991
bonds (distance) P-C4' energy: -133.910
flat angles C4'-P-C4' energy: -170.292
flat angles P-C4'-P energy: -123.905
tors. eta vs tors. theta energy: -238.287
Dist. restrs. and SS energy: 6.469 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -2599.702412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2599.702412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2610.982742 (E_RNA)
where:
Base-Base interactions energy: -1820.292
where: short stacking energy: -750.313
Base-Backbone interact. energy: -2.761
local terms energy: -787.929467
where:
bonds (distance) C4'-P energy: -134.421
bonds (distance) P-C4' energy: -133.473
flat angles C4'-P-C4' energy: -173.155
flat angles P-C4'-P energy: -123.695
tors. eta vs tors. theta energy: -223.185
Dist. restrs. and SS energy: 11.280 (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: 9
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -2550.400443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2550.400443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2555.205080 (E_RNA)
where:
Base-Base interactions energy: -1773.250
where: short stacking energy: -753.869
Base-Backbone interact. energy: -5.023
local terms energy: -776.931910
where:
bonds (distance) C4'-P energy: -136.317
bonds (distance) P-C4' energy: -149.807
flat angles C4'-P-C4' energy: -165.908
flat angles P-C4'-P energy: -93.288
tors. eta vs tors. theta energy: -231.611
Dist. restrs. and SS energy: 4.805 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -2462.822907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2462.822907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2466.188582 (E_RNA)
where:
Base-Base interactions energy: -1761.423
where: short stacking energy: -756.511
Base-Backbone interact. energy: -2.953
local terms energy: -701.812543
where:
bonds (distance) C4'-P energy: -119.533
bonds (distance) P-C4' energy: -122.638
flat angles C4'-P-C4' energy: -151.348
flat angles P-C4'-P energy: -88.917
tors. eta vs tors. theta energy: -219.377
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: 5, replica: 2
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -2433.634234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2433.634234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2444.010810 (E_RNA)
where:
Base-Base interactions energy: -1701.462
where: short stacking energy: -736.797
Base-Backbone interact. energy: -0.116
local terms energy: -742.432919
where:
bonds (distance) C4'-P energy: -138.812
bonds (distance) P-C4' energy: -134.745
flat angles C4'-P-C4' energy: -148.370
flat angles P-C4'-P energy: -108.961
tors. eta vs tors. theta energy: -211.545
Dist. restrs. and SS energy: 10.377 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -2293.929055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2293.929055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2302.899955 (E_RNA)
where:
Base-Base interactions energy: -1607.947
where: short stacking energy: -668.442
Base-Backbone interact. energy: -0.744
local terms energy: -694.208481
where:
bonds (distance) C4'-P energy: -130.837
bonds (distance) P-C4' energy: -127.597
flat angles C4'-P-C4' energy: -145.641
flat angles P-C4'-P energy: -90.079
tors. eta vs tors. theta energy: -200.054
Dist. restrs. and SS energy: 8.971 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -2253.121433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2253.121433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2262.361187 (E_RNA)
where:
Base-Base interactions energy: -1602.006
where: short stacking energy: -651.837
Base-Backbone interact. energy: -1.928
local terms energy: -658.427406
where:
bonds (distance) C4'-P energy: -118.703
bonds (distance) P-C4' energy: -134.656
flat angles C4'-P-C4' energy: -129.670
flat angles P-C4'-P energy: -75.692
tors. eta vs tors. theta energy: -199.707
Dist. restrs. and SS energy: 9.240 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -2121.767317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2121.767317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2145.215341 (E_RNA)
where:
Base-Base interactions energy: -1508.453
where: short stacking energy: -651.870
Base-Backbone interact. energy: -1.818
local terms energy: -634.944701
where:
bonds (distance) C4'-P energy: -111.547
bonds (distance) P-C4' energy: -119.564
flat angles C4'-P-C4' energy: -128.739
flat angles P-C4'-P energy: -85.727
tors. eta vs tors. theta energy: -189.368
Dist. restrs. and SS energy: 23.448 (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: 3
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -2005.634343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2005.634343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2022.553962 (E_RNA)
where:
Base-Base interactions energy: -1423.905
where: short stacking energy: -591.004
Base-Backbone interact. energy: -0.995
local terms energy: -597.653952
where:
bonds (distance) C4'-P energy: -129.373
bonds (distance) P-C4' energy: -113.041
flat angles C4'-P-C4' energy: -123.318
flat angles P-C4'-P energy: -74.201
tors. eta vs tors. theta energy: -157.722
Dist. restrs. and SS energy: 16.920 (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: 1
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -1951.476674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1951.476674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1971.195612 (E_RNA)
where:
Base-Base interactions energy: -1395.591
where: short stacking energy: -579.433
Base-Backbone interact. energy: -0.793
local terms energy: -574.811231
where:
bonds (distance) C4'-P energy: -81.127
bonds (distance) P-C4' energy: -100.179
flat angles C4'-P-C4' energy: -136.181
flat angles P-C4'-P energy: -86.160
tors. eta vs tors. theta energy: -171.164
Dist. restrs. and SS energy: 19.719 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -2678.302826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2678.302826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2684.571624 (E_RNA)
where:
Base-Base interactions energy: -1878.000
where: short stacking energy: -811.402
Base-Backbone interact. energy: -5.917
local terms energy: -800.654138
where:
bonds (distance) C4'-P energy: -151.941
bonds (distance) P-C4' energy: -134.828
flat angles C4'-P-C4' energy: -170.855
flat angles P-C4'-P energy: -112.714
tors. eta vs tors. theta energy: -230.316
Dist. restrs. and SS energy: 6.269 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -2630.499619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2630.499619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2639.382904 (E_RNA)
where:
Base-Base interactions energy: -1858.996
where: short stacking energy: -771.980
Base-Backbone interact. energy: -2.917
local terms energy: -777.469616
where:
bonds (distance) C4'-P energy: -130.115
bonds (distance) P-C4' energy: -128.787
flat angles C4'-P-C4' energy: -167.322
flat angles P-C4'-P energy: -114.390
tors. eta vs tors. theta energy: -236.855
Dist. restrs. and SS energy: 8.883 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -2550.855247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2550.855247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2559.814603 (E_RNA)
where:
Base-Base interactions energy: -1773.972
where: short stacking energy: -763.056
Base-Backbone interact. energy: -0.987
local terms energy: -784.855271
where:
bonds (distance) C4'-P energy: -137.911
bonds (distance) P-C4' energy: -131.718
flat angles C4'-P-C4' energy: -170.662
flat angles P-C4'-P energy: -113.693
tors. eta vs tors. theta energy: -230.871
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: 4, replica: 8
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -2484.728747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2484.728747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2492.742939 (E_RNA)
where:
Base-Base interactions energy: -1741.831
where: short stacking energy: -717.861
Base-Backbone interact. energy: -3.527
local terms energy: -747.384768
where:
bonds (distance) C4'-P energy: -144.533
bonds (distance) P-C4' energy: -124.834
flat angles C4'-P-C4' energy: -164.139
flat angles P-C4'-P energy: -107.735
tors. eta vs tors. theta energy: -206.144
Dist. restrs. and SS energy: 8.014 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -2444.964446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2444.964446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2452.761989 (E_RNA)
where:
Base-Base interactions energy: -1702.641
where: short stacking energy: -703.394
Base-Backbone interact. energy: -2.350
local terms energy: -747.771529
where:
bonds (distance) C4'-P energy: -122.797
bonds (distance) P-C4' energy: -131.656
flat angles C4'-P-C4' energy: -154.053
flat angles P-C4'-P energy: -121.099
tors. eta vs tors. theta energy: -218.167
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: 6, replica: 5
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -2327.286313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2327.286313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2337.840770 (E_RNA)
where:
Base-Base interactions energy: -1638.587
where: short stacking energy: -684.720
Base-Backbone interact. energy: -1.328
local terms energy: -697.926007
where:
bonds (distance) C4'-P energy: -123.415
bonds (distance) P-C4' energy: -124.588
flat angles C4'-P-C4' energy: -147.791
flat angles P-C4'-P energy: -101.712
tors. eta vs tors. theta energy: -200.420
Dist. restrs. and SS energy: 10.554 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -2223.428285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2223.428285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2233.089288 (E_RNA)
where:
Base-Base interactions energy: -1554.788
where: short stacking energy: -648.259
Base-Backbone interact. energy: -4.048
local terms energy: -674.253936
where:
bonds (distance) C4'-P energy: -116.625
bonds (distance) P-C4' energy: -121.842
flat angles C4'-P-C4' energy: -155.716
flat angles P-C4'-P energy: -89.230
tors. eta vs tors. theta energy: -190.842
Dist. restrs. and SS energy: 9.661 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -2074.838620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2074.838620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2102.427456 (E_RNA)
where:
Base-Base interactions energy: -1455.755
where: short stacking energy: -610.400
Base-Backbone interact. energy: -2.768
local terms energy: -643.904957
where:
bonds (distance) C4'-P energy: -103.276
bonds (distance) P-C4' energy: -113.653
flat angles C4'-P-C4' energy: -127.397
flat angles P-C4'-P energy: -110.488
tors. eta vs tors. theta energy: -189.090
Dist. restrs. and SS energy: 27.589 (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: 3
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -1999.329746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1999.329746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.523272 (E_RNA)
where:
Base-Base interactions energy: -1420.068
where: short stacking energy: -588.938
Base-Backbone interact. energy: 0.905
local terms energy: -596.360085
where:
bonds (distance) C4'-P energy: -102.954
bonds (distance) P-C4' energy: -112.674
flat angles C4'-P-C4' energy: -120.397
flat angles P-C4'-P energy: -76.941
tors. eta vs tors. theta energy: -183.394
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: 10, replica: 1
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -1945.215359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1945.215359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1969.467291 (E_RNA)
where:
Base-Base interactions energy: -1358.621
where: short stacking energy: -565.279
Base-Backbone interact. energy: -0.636
local terms energy: -610.210310
where:
bonds (distance) C4'-P energy: -114.769
bonds (distance) P-C4' energy: -106.496
flat angles C4'-P-C4' energy: -138.805
flat angles P-C4'-P energy: -88.513
tors. eta vs tors. theta energy: -161.628
Dist. restrs. and SS energy: 24.252 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -2688.616164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2688.616164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2697.400223 (E_RNA)
where:
Base-Base interactions energy: -1872.451
where: short stacking energy: -778.501
Base-Backbone interact. energy: -1.265
local terms energy: -823.684184
where:
bonds (distance) C4'-P energy: -150.123
bonds (distance) P-C4' energy: -144.285
flat angles C4'-P-C4' energy: -181.999
flat angles P-C4'-P energy: -110.277
tors. eta vs tors. theta energy: -237.000
Dist. restrs. and SS energy: 8.784 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -2636.136426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2636.136426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2645.848434 (E_RNA)
where:
Base-Base interactions energy: -1818.087
where: short stacking energy: -780.278
Base-Backbone interact. energy: -1.388
local terms energy: -826.373682
where:
bonds (distance) C4'-P energy: -146.673
bonds (distance) P-C4' energy: -155.434
flat angles C4'-P-C4' energy: -168.132
flat angles P-C4'-P energy: -118.655
tors. eta vs tors. theta energy: -237.480
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: 3, replica: 9
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -2546.832796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2546.832796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2553.130081 (E_RNA)
where:
Base-Base interactions energy: -1787.198
where: short stacking energy: -738.987
Base-Backbone interact. energy: 1.091
local terms energy: -767.022657
where:
bonds (distance) C4'-P energy: -144.511
bonds (distance) P-C4' energy: -126.940
flat angles C4'-P-C4' energy: -160.750
flat angles P-C4'-P energy: -105.671
tors. eta vs tors. theta energy: -229.151
Dist. restrs. and SS energy: 6.297 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -2445.369696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2445.369696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2455.685179 (E_RNA)
where:
Base-Base interactions energy: -1720.668
where: short stacking energy: -733.197
Base-Backbone interact. energy: 2.611
local terms energy: -737.628562
where:
bonds (distance) C4'-P energy: -148.077
bonds (distance) P-C4' energy: -127.250
flat angles C4'-P-C4' energy: -153.689
flat angles P-C4'-P energy: -94.585
tors. eta vs tors. theta energy: -214.029
Dist. restrs. and SS energy: 10.315 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -2423.219121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2423.219121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2431.705959 (E_RNA)
where:
Base-Base interactions energy: -1676.130
where: short stacking energy: -689.399
Base-Backbone interact. energy: -2.976
local terms energy: -752.600001
where:
bonds (distance) C4'-P energy: -131.875
bonds (distance) P-C4' energy: -145.868
flat angles C4'-P-C4' energy: -163.559
flat angles P-C4'-P energy: -110.299
tors. eta vs tors. theta energy: -200.998
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: 6, replica: 5
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -2303.210209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2303.210209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2310.808960 (E_RNA)
where:
Base-Base interactions energy: -1645.912
where: short stacking energy: -681.300
Base-Backbone interact. energy: -3.582
local terms energy: -661.315704
where:
bonds (distance) C4'-P energy: -113.177
bonds (distance) P-C4' energy: -126.210
flat angles C4'-P-C4' energy: -134.417
flat angles P-C4'-P energy: -89.574
tors. eta vs tors. theta energy: -197.938
Dist. restrs. and SS energy: 7.599 (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: 6
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -2220.878409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2220.878409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2231.975923 (E_RNA)
where:
Base-Base interactions energy: -1536.509
where: short stacking energy: -636.402
Base-Backbone interact. energy: -2.579
local terms energy: -692.887518
where:
bonds (distance) C4'-P energy: -117.350
bonds (distance) P-C4' energy: -135.249
flat angles C4'-P-C4' energy: -155.947
flat angles P-C4'-P energy: -91.347
tors. eta vs tors. theta energy: -192.994
Dist. restrs. and SS energy: 11.098 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -2085.290099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2085.290099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2102.395278 (E_RNA)
where:
Base-Base interactions energy: -1467.724
where: short stacking energy: -610.522
Base-Backbone interact. energy: 3.994
local terms energy: -638.664817
where:
bonds (distance) C4'-P energy: -131.606
bonds (distance) P-C4' energy: -109.838
flat angles C4'-P-C4' energy: -128.849
flat angles P-C4'-P energy: -91.915
tors. eta vs tors. theta energy: -176.457
Dist. restrs. and SS energy: 17.105 (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: 1
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -1992.480998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1992.480998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2014.052135 (E_RNA)
where:
Base-Base interactions energy: -1427.862
where: short stacking energy: -570.769
Base-Backbone interact. energy: -3.085
local terms energy: -583.105292
where:
bonds (distance) C4'-P energy: -106.068
bonds (distance) P-C4' energy: -117.548
flat angles C4'-P-C4' energy: -125.885
flat angles P-C4'-P energy: -74.467
tors. eta vs tors. theta energy: -159.136
Dist. restrs. and SS energy: 21.571 (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: 96
Temperature: 1.350000
Total energy: -2018.945899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.945899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2040.722556 (E_RNA)
where:
Base-Base interactions energy: -1419.485
where: short stacking energy: -583.153
Base-Backbone interact. energy: -0.720
local terms energy: -620.517069
where:
bonds (distance) C4'-P energy: -112.464
bonds (distance) P-C4' energy: -123.214
flat angles C4'-P-C4' energy: -118.754
flat angles P-C4'-P energy: -91.298
tors. eta vs tors. theta energy: -174.786
Dist. restrs. and SS energy: 21.777 (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: 10
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -2662.643632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2662.643632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2669.916776 (E_RNA)
where:
Base-Base interactions energy: -1874.753
where: short stacking energy: -783.530
Base-Backbone interact. energy: -1.814
local terms energy: -793.349132
where:
bonds (distance) C4'-P energy: -129.142
bonds (distance) P-C4' energy: -144.915
flat angles C4'-P-C4' energy: -168.184
flat angles P-C4'-P energy: -111.027
tors. eta vs tors. theta energy: -240.081
Dist. restrs. and SS energy: 7.273 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -2588.812338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2588.812338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2597.796298 (E_RNA)
where:
Base-Base interactions energy: -1803.339
where: short stacking energy: -748.850
Base-Backbone interact. energy: -1.871
local terms energy: -792.585650
where:
bonds (distance) C4'-P energy: -142.367
bonds (distance) P-C4' energy: -152.511
flat angles C4'-P-C4' energy: -168.973
flat angles P-C4'-P energy: -108.839
tors. eta vs tors. theta energy: -219.896
Dist. restrs. and SS energy: 8.984 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -2542.860941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2542.860941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2548.247440 (E_RNA)
where:
Base-Base interactions energy: -1774.759
where: short stacking energy: -772.540
Base-Backbone interact. energy: -2.428
local terms energy: -771.060858
where:
bonds (distance) C4'-P energy: -135.702
bonds (distance) P-C4' energy: -136.331
flat angles C4'-P-C4' energy: -156.332
flat angles P-C4'-P energy: -113.197
tors. eta vs tors. theta energy: -229.500
Dist. restrs. and SS energy: 5.386 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -2430.845161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2430.845161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2438.594959 (E_RNA)
where:
Base-Base interactions energy: -1711.311
where: short stacking energy: -710.623
Base-Backbone interact. energy: -2.176
local terms energy: -725.107527
where:
bonds (distance) C4'-P energy: -130.275
bonds (distance) P-C4' energy: -126.844
flat angles C4'-P-C4' energy: -148.982
flat angles P-C4'-P energy: -108.344
tors. eta vs tors. theta energy: -210.662
Dist. restrs. and SS energy: 7.750 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -2411.004059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2411.004059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2416.655607 (E_RNA)
where:
Base-Base interactions energy: -1680.956
where: short stacking energy: -711.898
Base-Backbone interact. energy: 0.401
local terms energy: -736.101253
where:
bonds (distance) C4'-P energy: -124.995
bonds (distance) P-C4' energy: -147.188
flat angles C4'-P-C4' energy: -145.409
flat angles P-C4'-P energy: -105.862
tors. eta vs tors. theta energy: -212.647
Dist. restrs. and SS energy: 5.652 (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: 5
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -2298.546627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2298.546627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2305.444621 (E_RNA)
where:
Base-Base interactions energy: -1625.608
where: short stacking energy: -676.027
Base-Backbone interact. energy: -3.104
local terms energy: -676.732609
where:
bonds (distance) C4'-P energy: -136.191
bonds (distance) P-C4' energy: -112.471
flat angles C4'-P-C4' energy: -146.151
flat angles P-C4'-P energy: -81.229
tors. eta vs tors. theta energy: -200.691
Dist. restrs. and SS energy: 6.898 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -2234.025128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2234.025128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2241.846752 (E_RNA)
where:
Base-Base interactions energy: -1570.637
where: short stacking energy: -636.873
Base-Backbone interact. energy: -1.724
local terms energy: -669.485597
where:
bonds (distance) C4'-P energy: -115.236
bonds (distance) P-C4' energy: -138.304
flat angles C4'-P-C4' energy: -154.252
flat angles P-C4'-P energy: -82.441
tors. eta vs tors. theta energy: -179.253
Dist. restrs. and SS energy: 7.822 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -2051.743598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2051.743598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2072.825894 (E_RNA)
where:
Base-Base interactions energy: -1441.855
where: short stacking energy: -604.195
Base-Backbone interact. energy: -2.023
local terms energy: -628.948571
where:
bonds (distance) C4'-P energy: -116.244
bonds (distance) P-C4' energy: -131.030
flat angles C4'-P-C4' energy: -142.954
flat angles P-C4'-P energy: -71.473
tors. eta vs tors. theta energy: -167.247
Dist. restrs. and SS energy: 21.082 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -2004.801207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2004.801207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2019.632364 (E_RNA)
where:
Base-Base interactions energy: -1420.335
where: short stacking energy: -590.311
Base-Backbone interact. energy: -3.931
local terms energy: -595.366823
where:
bonds (distance) C4'-P energy: -103.590
bonds (distance) P-C4' energy: -117.818
flat angles C4'-P-C4' energy: -132.296
flat angles P-C4'-P energy: -81.985
tors. eta vs tors. theta energy: -159.677
Dist. restrs. and SS energy: 14.831 (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: 3
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -1978.489150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1978.489150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.769527 (E_RNA)
where:
Base-Base interactions energy: -1413.398
where: short stacking energy: -581.488
Base-Backbone interact. energy: 5.781
local terms energy: -589.152734
where:
bonds (distance) C4'-P energy: -92.153
bonds (distance) P-C4' energy: -113.296
flat angles C4'-P-C4' energy: -132.020
flat angles P-C4'-P energy: -79.729
tors. eta vs tors. theta energy: -171.955
Dist. restrs. and SS energy: 18.280 (S_DIST_RNA)
chem. 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: -2670.472719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2670.472719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2677.934275 (E_RNA)
where:
Base-Base interactions energy: -1873.200
where: short stacking energy: -782.263
Base-Backbone interact. energy: -3.728
local terms energy: -801.005901
where:
bonds (distance) C4'-P energy: -155.852
bonds (distance) P-C4' energy: -144.066
flat angles C4'-P-C4' energy: -155.986
flat angles P-C4'-P energy: -110.487
tors. eta vs tors. theta energy: -234.616
Dist. restrs. and SS energy: 7.462 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -2613.456190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2613.456190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2624.723902 (E_RNA)
where:
Base-Base interactions energy: -1834.816
where: short stacking energy: -786.542
Base-Backbone interact. energy: 0.146
local terms energy: -790.054235
where:
bonds (distance) C4'-P energy: -148.492
bonds (distance) P-C4' energy: -134.072
flat angles C4'-P-C4' energy: -163.938
flat angles P-C4'-P energy: -108.656
tors. eta vs tors. theta energy: -234.896
Dist. restrs. and SS energy: 11.268 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -2542.626861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2542.626861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2547.105054 (E_RNA)
where:
Base-Base interactions energy: -1783.535
where: short stacking energy: -753.028
Base-Backbone interact. energy: -1.377
local terms energy: -762.193277
where:
bonds (distance) C4'-P energy: -141.743
bonds (distance) P-C4' energy: -132.674
flat angles C4'-P-C4' energy: -157.408
flat angles P-C4'-P energy: -108.370
tors. eta vs tors. theta energy: -221.998
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: 4, replica: 8
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -2446.288615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2446.288615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2453.953752 (E_RNA)
where:
Base-Base interactions energy: -1715.595
where: short stacking energy: -715.692
Base-Backbone interact. energy: -2.198
local terms energy: -736.161046
where:
bonds (distance) C4'-P energy: -128.472
bonds (distance) P-C4' energy: -130.394
flat angles C4'-P-C4' energy: -161.761
flat angles P-C4'-P energy: -98.186
tors. eta vs tors. theta energy: -217.349
Dist. restrs. and SS energy: 7.665 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -2454.429891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2454.429891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2459.426484 (E_RNA)
where:
Base-Base interactions energy: -1721.550
where: short stacking energy: -712.343
Base-Backbone interact. energy: -2.303
local terms energy: -735.573391
where:
bonds (distance) C4'-P energy: -136.308
bonds (distance) P-C4' energy: -121.028
flat angles C4'-P-C4' energy: -162.022
flat angles P-C4'-P energy: -111.444
tors. eta vs tors. theta energy: -204.771
Dist. restrs. and SS energy: 4.997 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -2269.696342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2269.696342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2276.029190 (E_RNA)
where:
Base-Base interactions energy: -1584.670
where: short stacking energy: -664.581
Base-Backbone interact. energy: -1.660
local terms energy: -689.698642
where:
bonds (distance) C4'-P energy: -115.416
bonds (distance) P-C4' energy: -141.343
flat angles C4'-P-C4' energy: -140.538
flat angles P-C4'-P energy: -83.650
tors. eta vs tors. theta energy: -208.751
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: 7, replica: 6
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -2259.522331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2259.522331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2264.197127 (E_RNA)
where:
Base-Base interactions energy: -1600.912
where: short stacking energy: -635.990
Base-Backbone interact. energy: -2.742
local terms energy: -660.543769
where:
bonds (distance) C4'-P energy: -129.318
bonds (distance) P-C4' energy: -110.680
flat angles C4'-P-C4' energy: -132.025
flat angles P-C4'-P energy: -103.682
tors. eta vs tors. theta energy: -184.839
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: 8, replica: 4
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -2087.044162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2087.044162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2096.758713 (E_RNA)
where:
Base-Base interactions energy: -1455.964
where: short stacking energy: -596.410
Base-Backbone interact. energy: 0.258
local terms energy: -641.053522
where:
bonds (distance) C4'-P energy: -117.690
bonds (distance) P-C4' energy: -130.722
flat angles C4'-P-C4' energy: -138.655
flat angles P-C4'-P energy: -86.953
tors. eta vs tors. theta energy: -167.034
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: 3
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -2103.406636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2103.406636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2127.911342 (E_RNA)
where:
Base-Base interactions energy: -1489.714
where: short stacking energy: -644.292
Base-Backbone interact. energy: -1.443
local terms energy: -636.754237
where:
bonds (distance) C4'-P energy: -104.806
bonds (distance) P-C4' energy: -119.026
flat angles C4'-P-C4' energy: -149.055
flat angles P-C4'-P energy: -76.423
tors. eta vs tors. theta energy: -187.443
Dist. restrs. and SS energy: 24.505 (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: 1
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -1897.369934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.369934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1911.812124 (E_RNA)
where:
Base-Base interactions energy: -1369.574
where: short stacking energy: -568.627
Base-Backbone interact. energy: 3.453
local terms energy: -545.691676
where:
bonds (distance) C4'-P energy: -83.608
bonds (distance) P-C4' energy: -84.431
flat angles C4'-P-C4' energy: -127.157
flat angles P-C4'-P energy: -85.095
tors. eta vs tors. theta energy: -165.401
Dist. restrs. and SS energy: 14.442 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -2674.041172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2674.041172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2681.493103 (E_RNA)
where:
Base-Base interactions energy: -1882.986
where: short stacking energy: -802.783
Base-Backbone interact. energy: -1.700
local terms energy: -796.806946
where:
bonds (distance) C4'-P energy: -146.221
bonds (distance) P-C4' energy: -133.711
flat angles C4'-P-C4' energy: -168.473
flat angles P-C4'-P energy: -116.393
tors. eta vs tors. theta energy: -232.009
Dist. restrs. and SS energy: 7.452 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -2605.478462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2605.478462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2611.370212 (E_RNA)
where:
Base-Base interactions energy: -1804.201
where: short stacking energy: -778.654
Base-Backbone interact. energy: -1.373
local terms energy: -805.796144
where:
bonds (distance) C4'-P energy: -146.882
bonds (distance) P-C4' energy: -142.805
flat angles C4'-P-C4' energy: -168.170
flat angles P-C4'-P energy: -113.048
tors. eta vs tors. theta energy: -234.892
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: 3, replica: 7
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -2503.647999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2503.647999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2519.865017 (E_RNA)
where:
Base-Base interactions energy: -1780.558
where: short stacking energy: -732.730
Base-Backbone interact. energy: -1.109
local terms energy: -738.198706
where:
bonds (distance) C4'-P energy: -127.557
bonds (distance) P-C4' energy: -130.851
flat angles C4'-P-C4' energy: -152.033
flat angles P-C4'-P energy: -113.003
tors. eta vs tors. theta energy: -214.755
Dist. restrs. and SS energy: 16.217 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -2478.812708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2478.812708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2484.542013 (E_RNA)
where:
Base-Base interactions energy: -1744.601
where: short stacking energy: -722.870
Base-Backbone interact. energy: 1.333
local terms energy: -741.274052
where:
bonds (distance) C4'-P energy: -127.301
bonds (distance) P-C4' energy: -137.318
flat angles C4'-P-C4' energy: -156.366
flat angles P-C4'-P energy: -91.339
tors. eta vs tors. theta energy: -228.950
Dist. restrs. and SS energy: 5.729 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -2372.883368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2372.883368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2380.362159 (E_RNA)
where:
Base-Base interactions energy: -1668.577
where: short stacking energy: -706.062
Base-Backbone interact. energy: -3.388
local terms energy: -708.397102
where:
bonds (distance) C4'-P energy: -125.717
bonds (distance) P-C4' energy: -131.685
flat angles C4'-P-C4' energy: -152.245
flat angles P-C4'-P energy: -99.245
tors. eta vs tors. theta energy: -199.505
Dist. restrs. and SS energy: 7.479 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -2285.574783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2285.574783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2301.417299 (E_RNA)
where:
Base-Base interactions energy: -1613.512
where: short stacking energy: -680.712
Base-Backbone interact. energy: -3.285
local terms energy: -684.620700
where:
bonds (distance) C4'-P energy: -108.204
bonds (distance) P-C4' energy: -135.995
flat angles C4'-P-C4' energy: -139.653
flat angles P-C4'-P energy: -98.484
tors. eta vs tors. theta energy: -202.284
Dist. restrs. and SS energy: 15.843 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -2262.824243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2262.824243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2273.309655 (E_RNA)
where:
Base-Base interactions energy: -1622.414
where: short stacking energy: -682.454
Base-Backbone interact. energy: -3.761
local terms energy: -647.134558
where:
bonds (distance) C4'-P energy: -116.040
bonds (distance) P-C4' energy: -108.815
flat angles C4'-P-C4' energy: -137.010
flat angles P-C4'-P energy: -87.136
tors. eta vs tors. theta energy: -198.133
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: 8, replica: 3
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -2115.668439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2115.668439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2134.251691 (E_RNA)
where:
Base-Base interactions energy: -1517.121
where: short stacking energy: -608.184
Base-Backbone interact. energy: 5.536
local terms energy: -622.666593
where:
bonds (distance) C4'-P energy: -122.191
bonds (distance) P-C4' energy: -109.469
flat angles C4'-P-C4' energy: -134.674
flat angles P-C4'-P energy: -75.677
tors. eta vs tors. theta energy: -180.656
Dist. restrs. and SS energy: 18.583 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -2035.436806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2035.436806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2047.111132 (E_RNA)
where:
Base-Base interactions energy: -1425.839
where: short stacking energy: -554.345
Base-Backbone interact. energy: 0.423
local terms energy: -621.694962
where:
bonds (distance) C4'-P energy: -114.570
bonds (distance) P-C4' energy: -128.334
flat angles C4'-P-C4' energy: -135.166
flat angles P-C4'-P energy: -79.196
tors. eta vs tors. theta energy: -164.428
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: 10, replica: 1
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -1955.005530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.005530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.320209 (E_RNA)
where:
Base-Base interactions energy: -1375.615
where: short stacking energy: -581.460
Base-Backbone interact. energy: -2.110
local terms energy: -590.595122
where:
bonds (distance) C4'-P energy: -111.471
bonds (distance) P-C4' energy: -110.510
flat angles C4'-P-C4' energy: -147.283
flat angles P-C4'-P energy: -61.814
tors. eta vs tors. theta energy: -159.517
Dist. restrs. and SS energy: 13.315 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -2693.735928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2693.735928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2701.126801 (E_RNA)
where:
Base-Base interactions energy: -1897.165
where: short stacking energy: -785.933
Base-Backbone interact. energy: -2.624
local terms energy: -801.337088
where:
bonds (distance) C4'-P energy: -155.692
bonds (distance) P-C4' energy: -141.059
flat angles C4'-P-C4' energy: -165.156
flat angles P-C4'-P energy: -110.235
tors. eta vs tors. theta energy: -229.195
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: 2, replica: 9
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -2625.037530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2625.037530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2629.363248 (E_RNA)
where:
Base-Base interactions energy: -1824.972
where: short stacking energy: -765.863
Base-Backbone interact. energy: -3.191
local terms energy: -801.200787
where:
bonds (distance) C4'-P energy: -148.072
bonds (distance) P-C4' energy: -146.739
flat angles C4'-P-C4' energy: -162.250
flat angles P-C4'-P energy: -110.275
tors. eta vs tors. theta energy: -233.865
Dist. restrs. and SS energy: 4.326 (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: 7
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -2532.137903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2532.137903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2543.544223 (E_RNA)
where:
Base-Base interactions energy: -1761.526
where: short stacking energy: -725.009
Base-Backbone interact. energy: -3.012
local terms energy: -779.006839
where:
bonds (distance) C4'-P energy: -145.819
bonds (distance) P-C4' energy: -134.550
flat angles C4'-P-C4' energy: -161.645
flat angles P-C4'-P energy: -114.470
tors. eta vs tors. theta energy: -222.523
Dist. restrs. and SS energy: 11.406 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -2484.272441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2484.272441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2489.445057 (E_RNA)
where:
Base-Base interactions energy: -1738.364
where: short stacking energy: -746.452
Base-Backbone interact. energy: -2.643
local terms energy: -748.438240
where:
bonds (distance) C4'-P energy: -150.963
bonds (distance) P-C4' energy: -123.162
flat angles C4'-P-C4' energy: -153.563
flat angles P-C4'-P energy: -107.385
tors. eta vs tors. theta energy: -213.365
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: 5, replica: 2
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -2392.490588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2392.490588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2397.917957 (E_RNA)
where:
Base-Base interactions energy: -1704.000
where: short stacking energy: -699.883
Base-Backbone interact. energy: -2.320
local terms energy: -691.597924
where:
bonds (distance) C4'-P energy: -111.331
bonds (distance) P-C4' energy: -122.110
flat angles C4'-P-C4' energy: -160.849
flat angles P-C4'-P energy: -89.179
tors. eta vs tors. theta energy: -208.128
Dist. restrs. and SS energy: 5.427 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -2316.336029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2316.336029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2328.635139 (E_RNA)
where:
Base-Base interactions energy: -1628.004
where: short stacking energy: -686.163
Base-Backbone interact. energy: -2.649
local terms energy: -697.982337
where:
bonds (distance) C4'-P energy: -110.336
bonds (distance) P-C4' energy: -134.181
flat angles C4'-P-C4' energy: -155.133
flat angles P-C4'-P energy: -104.013
tors. eta vs tors. theta energy: -194.319
Dist. restrs. and SS energy: 12.299 (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: 5
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -2254.810480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2254.810480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2264.018976 (E_RNA)
where:
Base-Base interactions energy: -1587.633
where: short stacking energy: -689.216
Base-Backbone interact. energy: -3.130
local terms energy: -673.255612
where:
bonds (distance) C4'-P energy: -111.260
bonds (distance) P-C4' energy: -126.357
flat angles C4'-P-C4' energy: -137.562
flat angles P-C4'-P energy: -87.425
tors. eta vs tors. theta energy: -210.652
Dist. restrs. and SS energy: 9.208 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -2178.579429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2178.579429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2193.973338 (E_RNA)
where:
Base-Base interactions energy: -1537.201
where: short stacking energy: -649.663
Base-Backbone interact. energy: -1.538
local terms energy: -655.233808
where:
bonds (distance) C4'-P energy: -109.010
bonds (distance) P-C4' energy: -118.444
flat angles C4'-P-C4' energy: -148.945
flat angles P-C4'-P energy: -93.347
tors. eta vs tors. theta energy: -185.488
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: 9, replica: 4
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -2026.283303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2026.283303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2041.178802 (E_RNA)
where:
Base-Base interactions energy: -1456.672
where: short stacking energy: -622.983
Base-Backbone interact. energy: -2.065
local terms energy: -582.441664
where:
bonds (distance) C4'-P energy: -101.687
bonds (distance) P-C4' energy: -119.307
flat angles C4'-P-C4' energy: -113.704
flat angles P-C4'-P energy: -72.217
tors. eta vs tors. theta energy: -175.526
Dist. restrs. and SS energy: 14.895 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -1918.579451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1918.579451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.866990 (E_RNA)
where:
Base-Base interactions energy: -1370.521
where: short stacking energy: -548.932
Base-Backbone interact. energy: 3.941
local terms energy: -571.287151
where:
bonds (distance) C4'-P energy: -101.246
bonds (distance) P-C4' energy: -110.569
flat angles C4'-P-C4' energy: -134.860
flat angles P-C4'-P energy: -75.626
tors. eta vs tors. theta energy: -148.986
Dist. restrs. and SS energy: 19.288 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -2696.101844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2696.101844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2701.052983 (E_RNA)
where:
Base-Base interactions energy: -1886.330
where: short stacking energy: -778.550
Base-Backbone interact. energy: -2.846
local terms energy: -811.877087
where:
bonds (distance) C4'-P energy: -150.121
bonds (distance) P-C4' energy: -159.353
flat angles C4'-P-C4' energy: -160.838
flat angles P-C4'-P energy: -109.927
tors. eta vs tors. theta energy: -231.638
Dist. restrs. and SS energy: 4.951 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -2587.620727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2587.620727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2608.837060 (E_RNA)
where:
Base-Base interactions energy: -1800.036
where: short stacking energy: -779.778
Base-Backbone interact. energy: -2.264
local terms energy: -806.537584
where:
bonds (distance) C4'-P energy: -135.806
bonds (distance) P-C4' energy: -150.880
flat angles C4'-P-C4' energy: -168.385
flat angles P-C4'-P energy: -120.720
tors. eta vs tors. theta energy: -230.746
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: 3, replica: 9
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -2578.759206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2578.759206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2586.167228 (E_RNA)
where:
Base-Base interactions energy: -1812.723
where: short stacking energy: -740.845
Base-Backbone interact. energy: -0.762
local terms energy: -772.682326
where:
bonds (distance) C4'-P energy: -117.139
bonds (distance) P-C4' energy: -142.886
flat angles C4'-P-C4' energy: -175.334
flat angles P-C4'-P energy: -117.461
tors. eta vs tors. theta energy: -219.862
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: 4, replica: 8
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -2480.789254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2480.789254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2485.047525 (E_RNA)
where:
Base-Base interactions energy: -1738.694
where: short stacking energy: -717.395
Base-Backbone interact. energy: -0.400
local terms energy: -745.953463
where:
bonds (distance) C4'-P energy: -137.915
bonds (distance) P-C4' energy: -151.679
flat angles C4'-P-C4' energy: -141.591
flat angles P-C4'-P energy: -102.322
tors. eta vs tors. theta energy: -212.446
Dist. restrs. and SS energy: 4.258 (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: 2
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -2417.122809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2417.122809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2424.010718 (E_RNA)
where:
Base-Base interactions energy: -1704.644
where: short stacking energy: -705.682
Base-Backbone interact. energy: -1.190
local terms energy: -718.177089
where:
bonds (distance) C4'-P energy: -131.927
bonds (distance) P-C4' energy: -128.506
flat angles C4'-P-C4' energy: -152.343
flat angles P-C4'-P energy: -94.279
tors. eta vs tors. theta energy: -211.122
Dist. restrs. and SS energy: 6.888 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -2348.004178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2348.004178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2356.991709 (E_RNA)
where:
Base-Base interactions energy: -1631.540
where: short stacking energy: -699.326
Base-Backbone interact. energy: -0.912
local terms energy: -724.540036
where:
bonds (distance) C4'-P energy: -125.792
bonds (distance) P-C4' energy: -129.239
flat angles C4'-P-C4' energy: -148.360
flat angles P-C4'-P energy: -104.952
tors. eta vs tors. theta energy: -216.197
Dist. restrs. and SS energy: 8.988 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -2226.068571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2226.068571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2235.963998 (E_RNA)
where:
Base-Base interactions energy: -1593.940
where: short stacking energy: -687.331
Base-Backbone interact. energy: -0.364
local terms energy: -641.660106
where:
bonds (distance) C4'-P energy: -106.592
bonds (distance) P-C4' energy: -116.845
flat angles C4'-P-C4' energy: -135.567
flat angles P-C4'-P energy: -76.772
tors. eta vs tors. theta energy: -205.884
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: 8, replica: 3
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -2154.716463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2154.716463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2173.723973 (E_RNA)
where:
Base-Base interactions energy: -1512.449
where: short stacking energy: -619.816
Base-Backbone interact. energy: -3.842
local terms energy: -657.433081
where:
bonds (distance) C4'-P energy: -110.226
bonds (distance) P-C4' energy: -126.979
flat angles C4'-P-C4' energy: -133.300
flat angles P-C4'-P energy: -100.871
tors. eta vs tors. theta energy: -186.056
Dist. restrs. and SS energy: 19.008 (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: 4
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -2046.434581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2046.434581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2061.200954 (E_RNA)
where:
Base-Base interactions energy: -1420.944
where: short stacking energy: -599.199
Base-Backbone interact. energy: -1.664
local terms energy: -638.592757
where:
bonds (distance) C4'-P energy: -125.145
bonds (distance) P-C4' energy: -125.303
flat angles C4'-P-C4' energy: -132.453
flat angles P-C4'-P energy: -80.942
tors. eta vs tors. theta energy: -174.750
Dist. restrs. and SS energy: 14.766 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -1905.533089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.533089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.628856 (E_RNA)
where:
Base-Base interactions energy: -1383.459
where: short stacking energy: -558.609
Base-Backbone interact. energy: -1.615
local terms energy: -538.554803
where:
bonds (distance) C4'-P energy: -102.438
bonds (distance) P-C4' energy: -101.247
flat angles C4'-P-C4' energy: -109.955
flat angles P-C4'-P energy: -74.439
tors. eta vs tors. theta energy: -150.475
Dist. restrs. and SS energy: 18.096 (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: 10
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -2698.061230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2698.061230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2704.307597 (E_RNA)
where:
Base-Base interactions energy: -1903.320
where: short stacking energy: -787.578
Base-Backbone interact. energy: -4.347
local terms energy: -796.640277
where:
bonds (distance) C4'-P energy: -145.087
bonds (distance) P-C4' energy: -141.386
flat angles C4'-P-C4' energy: -165.478
flat angles P-C4'-P energy: -112.417
tors. eta vs tors. theta energy: -232.273
Dist. restrs. and SS energy: 6.246 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -2573.242001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2573.242001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2586.213373 (E_RNA)
where:
Base-Base interactions energy: -1790.480
where: short stacking energy: -774.085
Base-Backbone interact. energy: -2.823
local terms energy: -792.910984
where:
bonds (distance) C4'-P energy: -143.293
bonds (distance) P-C4' energy: -134.249
flat angles C4'-P-C4' energy: -165.791
flat angles P-C4'-P energy: -115.092
tors. eta vs tors. theta energy: -234.485
Dist. restrs. and SS energy: 12.971 (S_DIST_RNA)
chem. 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: -2593.473367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2593.473367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2604.144676 (E_RNA)
where:
Base-Base interactions energy: -1843.234
where: short stacking energy: -781.875
Base-Backbone interact. energy: -2.119
local terms energy: -758.791821
where:
bonds (distance) C4'-P energy: -128.091
bonds (distance) P-C4' energy: -124.649
flat angles C4'-P-C4' energy: -165.022
flat angles P-C4'-P energy: -108.623
tors. eta vs tors. theta energy: -232.408
Dist. restrs. and SS energy: 10.671 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -2471.684767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2471.684767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2478.801819 (E_RNA)
where:
Base-Base interactions energy: -1703.124
where: short stacking energy: -716.805
Base-Backbone interact. energy: 0.689
local terms energy: -776.366519
where:
bonds (distance) C4'-P energy: -138.420
bonds (distance) P-C4' energy: -149.946
flat angles C4'-P-C4' energy: -160.672
flat angles P-C4'-P energy: -110.614
tors. eta vs tors. theta energy: -216.715
Dist. restrs. and SS energy: 7.117 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -2422.917317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2422.917317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2433.584449 (E_RNA)
where:
Base-Base interactions energy: -1705.084
where: short stacking energy: -723.276
Base-Backbone interact. energy: -1.726
local terms energy: -726.773806
where:
bonds (distance) C4'-P energy: -134.717
bonds (distance) P-C4' energy: -126.147
flat angles C4'-P-C4' energy: -144.733
flat angles P-C4'-P energy: -105.814
tors. eta vs tors. theta energy: -215.363
Dist. restrs. and SS energy: 10.667 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -2289.415595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2289.415595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2297.042257 (E_RNA)
where:
Base-Base interactions energy: -1598.454
where: short stacking energy: -680.755
Base-Backbone interact. energy: -2.636
local terms energy: -695.952921
where:
bonds (distance) C4'-P energy: -118.503
bonds (distance) P-C4' energy: -138.131
flat angles C4'-P-C4' energy: -156.632
flat angles P-C4'-P energy: -84.229
tors. eta vs tors. theta energy: -198.458
Dist. restrs. and SS energy: 7.627 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -2275.778077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2275.778077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2292.889007 (E_RNA)
where:
Base-Base interactions energy: -1587.677
where: short stacking energy: -662.790
Base-Backbone interact. energy: -2.733
local terms energy: -702.478442
where:
bonds (distance) C4'-P energy: -120.012
bonds (distance) P-C4' energy: -133.474
flat angles C4'-P-C4' energy: -157.121
flat angles P-C4'-P energy: -91.985
tors. eta vs tors. theta energy: -199.886
Dist. restrs. and SS energy: 17.111 (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: 3
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -2116.136780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2116.136780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2129.556759 (E_RNA)
where:
Base-Base interactions energy: -1487.435
where: short stacking energy: -619.278
Base-Backbone interact. energy: -3.580
local terms energy: -638.541938
where:
bonds (distance) C4'-P energy: -112.746
bonds (distance) P-C4' energy: -127.461
flat angles C4'-P-C4' energy: -138.578
flat angles P-C4'-P energy: -79.829
tors. eta vs tors. theta energy: -179.928
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: 9, replica: 1
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -2010.725510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2010.725510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2030.362668 (E_RNA)
where:
Base-Base interactions energy: -1422.983
where: short stacking energy: -591.021
Base-Backbone interact. energy: 0.331
local terms energy: -607.710064
where:
bonds (distance) C4'-P energy: -111.005
bonds (distance) P-C4' energy: -125.810
flat angles C4'-P-C4' energy: -139.785
flat angles P-C4'-P energy: -70.670
tors. eta vs tors. theta energy: -160.441
Dist. restrs. and SS energy: 19.637 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -2014.040647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2014.040647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2026.816229 (E_RNA)
where:
Base-Base interactions energy: -1458.482
where: short stacking energy: -614.461
Base-Backbone interact. energy: -1.393
local terms energy: -566.942057
where:
bonds (distance) C4'-P energy: -103.292
bonds (distance) P-C4' energy: -91.432
flat angles C4'-P-C4' energy: -127.170
flat angles P-C4'-P energy: -68.941
tors. eta vs tors. theta energy: -176.107
Dist. restrs. and SS energy: 12.776 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -2680.893120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2680.893120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2689.309377 (E_RNA)
where:
Base-Base interactions energy: -1894.037
where: short stacking energy: -790.228
Base-Backbone interact. energy: -3.172
local terms energy: -792.100900
where:
bonds (distance) C4'-P energy: -139.428
bonds (distance) P-C4' energy: -144.857
flat angles C4'-P-C4' energy: -171.792
flat angles P-C4'-P energy: -96.436
tors. eta vs tors. theta energy: -239.588
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: 2, replica: 7
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -2563.589756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2563.589756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2583.337685 (E_RNA)
where:
Base-Base interactions energy: -1810.846
where: short stacking energy: -776.138
Base-Backbone interact. energy: -3.795
local terms energy: -768.696217
where:
bonds (distance) C4'-P energy: -136.666
bonds (distance) P-C4' energy: -137.529
flat angles C4'-P-C4' energy: -156.898
flat angles P-C4'-P energy: -106.921
tors. eta vs tors. theta energy: -230.682
Dist. restrs. and SS energy: 19.748 (S_DIST_RNA)
chem. 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: -2554.913285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2554.913285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2566.546030 (E_RNA)
where:
Base-Base interactions energy: -1791.606
where: short stacking energy: -758.655
Base-Backbone interact. energy: -0.968
local terms energy: -773.972457
where:
bonds (distance) C4'-P energy: -132.770
bonds (distance) P-C4' energy: -132.392
flat angles C4'-P-C4' energy: -165.839
flat angles P-C4'-P energy: -119.308
tors. eta vs tors. theta energy: -223.663
Dist. restrs. and SS energy: 11.633 (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: 103
Temperature: 1.050000
Total energy: -2449.120737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2449.120737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2454.490653 (E_RNA)
where:
Base-Base interactions energy: -1701.915
where: short stacking energy: -714.357
Base-Backbone interact. energy: -2.153
local terms energy: -750.423107
where:
bonds (distance) C4'-P energy: -145.143
bonds (distance) P-C4' energy: -128.437
flat angles C4'-P-C4' energy: -155.329
flat angles P-C4'-P energy: -107.920
tors. eta vs tors. theta energy: -213.594
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: 5, replica: 2
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -2408.951554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2408.951554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2416.172163 (E_RNA)
where:
Base-Base interactions energy: -1679.609
where: short stacking energy: -710.093
Base-Backbone interact. energy: -3.415
local terms energy: -733.148497
where:
bonds (distance) C4'-P energy: -138.948
bonds (distance) P-C4' energy: -125.649
flat angles C4'-P-C4' energy: -145.967
flat angles P-C4'-P energy: -104.553
tors. eta vs tors. theta energy: -218.031
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: 5
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -2306.822829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2306.822829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2316.453525 (E_RNA)
where:
Base-Base interactions energy: -1626.057
where: short stacking energy: -696.024
Base-Backbone interact. energy: -1.520
local terms energy: -688.876717
where:
bonds (distance) C4'-P energy: -126.862
bonds (distance) P-C4' energy: -127.465
flat angles C4'-P-C4' energy: -153.284
flat angles P-C4'-P energy: -83.782
tors. eta vs tors. theta energy: -197.483
Dist. restrs. and SS energy: 9.631 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -2271.427069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2271.427069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2280.276168 (E_RNA)
where:
Base-Base interactions energy: -1593.106
where: short stacking energy: -663.396
Base-Backbone interact. energy: -2.705
local terms energy: -684.465015
where:
bonds (distance) C4'-P energy: -110.745
bonds (distance) P-C4' energy: -122.771
flat angles C4'-P-C4' energy: -151.773
flat angles P-C4'-P energy: -95.649
tors. eta vs tors. theta energy: -203.527
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: 8, replica: 1
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -2039.003929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2039.003929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2047.663113 (E_RNA)
where:
Base-Base interactions energy: -1422.058
where: short stacking energy: -579.559
Base-Backbone interact. energy: -3.957
local terms energy: -621.648474
where:
bonds (distance) C4'-P energy: -120.308
bonds (distance) P-C4' energy: -141.139
flat angles C4'-P-C4' energy: -129.407
flat angles P-C4'-P energy: -68.263
tors. eta vs tors. theta energy: -162.533
Dist. restrs. and SS energy: 8.659 (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: 3
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -2081.637288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2081.637288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.538073 (E_RNA)
where:
Base-Base interactions energy: -1449.618
where: short stacking energy: -593.688
Base-Backbone interact. energy: 1.238
local terms energy: -650.158171
where:
bonds (distance) C4'-P energy: -123.394
bonds (distance) P-C4' energy: -119.771
flat angles C4'-P-C4' energy: -144.812
flat angles P-C4'-P energy: -91.572
tors. eta vs tors. theta energy: -170.608
Dist. restrs. and SS energy: 16.901 (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: 4
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -1990.823826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1990.823826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2004.203740 (E_RNA)
where:
Base-Base interactions energy: -1417.372
where: short stacking energy: -598.224
Base-Backbone interact. energy: 2.770
local terms energy: -589.602140
where:
bonds (distance) C4'-P energy: -104.337
bonds (distance) P-C4' energy: -113.743
flat angles C4'-P-C4' energy: -139.108
flat angles P-C4'-P energy: -64.973
tors. eta vs tors. theta energy: -167.441
Dist. restrs. and SS energy: 13.380 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -2672.290368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2672.290368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2680.921857 (E_RNA)
where:
Base-Base interactions energy: -1909.289
where: short stacking energy: -805.080
Base-Backbone interact. energy: -1.430
local terms energy: -770.203217
where:
bonds (distance) C4'-P energy: -136.044
bonds (distance) P-C4' energy: -130.324
flat angles C4'-P-C4' energy: -169.276
flat angles P-C4'-P energy: -102.541
tors. eta vs tors. theta energy: -232.019
Dist. restrs. and SS energy: 8.631 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -2588.624315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2588.624315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2610.605276 (E_RNA)
where:
Base-Base interactions energy: -1814.656
where: short stacking energy: -766.461
Base-Backbone interact. energy: -4.181
local terms energy: -791.768401
where:
bonds (distance) C4'-P energy: -150.515
bonds (distance) P-C4' energy: -137.746
flat angles C4'-P-C4' energy: -164.575
flat angles P-C4'-P energy: -109.060
tors. eta vs tors. theta energy: -229.872
Dist. restrs. and SS energy: 21.981 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -2511.491421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2511.491421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2518.156526 (E_RNA)
where:
Base-Base interactions energy: -1758.680
where: short stacking energy: -768.377
Base-Backbone interact. energy: 0.045
local terms energy: -759.521850
where:
bonds (distance) C4'-P energy: -133.475
bonds (distance) P-C4' energy: -135.670
flat angles C4'-P-C4' energy: -157.510
flat angles P-C4'-P energy: -104.612
tors. eta vs tors. theta energy: -228.255
Dist. restrs. and SS energy: 6.665 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -2500.272366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2500.272366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2506.386949 (E_RNA)
where:
Base-Base interactions energy: -1766.588
where: short stacking energy: -718.000
Base-Backbone interact. energy: -5.440
local terms energy: -734.359210
where:
bonds (distance) C4'-P energy: -136.917
bonds (distance) P-C4' energy: -126.114
flat angles C4'-P-C4' energy: -155.499
flat angles P-C4'-P energy: -107.536
tors. eta vs tors. theta energy: -208.294
Dist. restrs. and SS energy: 6.115 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -2400.266879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2400.266879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2405.276691 (E_RNA)
where:
Base-Base interactions energy: -1667.124
where: short stacking energy: -724.561
Base-Backbone interact. energy: -0.474
local terms energy: -737.678902
where:
bonds (distance) C4'-P energy: -140.371
bonds (distance) P-C4' energy: -130.731
flat angles C4'-P-C4' energy: -145.139
flat angles P-C4'-P energy: -102.084
tors. eta vs tors. theta energy: -219.354
Dist. restrs. and SS energy: 5.010 (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: 5
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -2297.158535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2297.158535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2307.449482 (E_RNA)
where:
Base-Base interactions energy: -1618.654
where: short stacking energy: -672.291
Base-Backbone interact. energy: -3.420
local terms energy: -685.375794
where:
bonds (distance) C4'-P energy: -114.948
bonds (distance) P-C4' energy: -131.534
flat angles C4'-P-C4' energy: -141.509
flat angles P-C4'-P energy: -96.223
tors. eta vs tors. theta energy: -201.162
Dist. restrs. and SS energy: 10.291 (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: 6
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -2247.989779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2247.989779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2259.722218 (E_RNA)
where:
Base-Base interactions energy: -1561.483
where: short stacking energy: -659.985
Base-Backbone interact. energy: -1.283
local terms energy: -696.955885
where:
bonds (distance) C4'-P energy: -133.432
bonds (distance) P-C4' energy: -118.003
flat angles C4'-P-C4' energy: -142.185
flat angles P-C4'-P energy: -97.783
tors. eta vs tors. theta energy: -205.553
Dist. restrs. and SS energy: 11.732 (S_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: 104
Temperature: 1.250000
Total energy: -2040.900371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2040.900371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2050.348159 (E_RNA)
where:
Base-Base interactions energy: -1458.963
where: short stacking energy: -579.175
Base-Backbone interact. energy: 0.509
local terms energy: -591.893662
where:
bonds (distance) C4'-P energy: -117.020
bonds (distance) P-C4' energy: -106.483
flat angles C4'-P-C4' energy: -127.203
flat angles P-C4'-P energy: -87.451
tors. eta vs tors. theta energy: -153.738
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: 4
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -1986.067923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1986.067923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2004.584499 (E_RNA)
where:
Base-Base interactions energy: -1401.746
where: short stacking energy: -594.454
Base-Backbone interact. energy: -1.325
local terms energy: -601.513219
where:
bonds (distance) C4'-P energy: -107.738
bonds (distance) P-C4' energy: -120.366
flat angles C4'-P-C4' energy: -139.347
flat angles P-C4'-P energy: -67.959
tors. eta vs tors. theta energy: -166.103
Dist. restrs. and SS energy: 18.517 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -2007.601067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2007.601067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2023.761557 (E_RNA)
where:
Base-Base interactions energy: -1436.637
where: short stacking energy: -589.667
Base-Backbone interact. energy: 3.702
local terms energy: -590.826632
where:
bonds (distance) C4'-P energy: -116.983
bonds (distance) P-C4' energy: -109.628
flat angles C4'-P-C4' energy: -125.942
flat angles P-C4'-P energy: -79.518
tors. eta vs tors. theta energy: -158.755
Dist. restrs. and SS energy: 16.160 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -2699.626637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2699.626637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2705.802860 (E_RNA)
where:
Base-Base interactions energy: -1905.521
where: short stacking energy: -794.642
Base-Backbone interact. energy: -5.207
local terms energy: -795.074654
where:
bonds (distance) C4'-P energy: -127.677
bonds (distance) P-C4' energy: -144.320
flat angles C4'-P-C4' energy: -165.295
flat angles P-C4'-P energy: -122.080
tors. eta vs tors. theta energy: -235.703
Dist. restrs. and SS energy: 6.176 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -2566.932451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2566.932451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2580.498679 (E_RNA)
where:
Base-Base interactions energy: -1801.568
where: short stacking energy: -754.802
Base-Backbone interact. energy: -2.805
local terms energy: -776.125487
where:
bonds (distance) C4'-P energy: -152.874
bonds (distance) P-C4' energy: -140.411
flat angles C4'-P-C4' energy: -143.191
flat angles P-C4'-P energy: -114.216
tors. eta vs tors. theta energy: -225.434
Dist. restrs. and SS energy: 13.566 (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: 8
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -2545.188802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2545.188802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2550.663020 (E_RNA)
where:
Base-Base interactions energy: -1752.081
where: short stacking energy: -746.373
Base-Backbone interact. energy: 4.806
local terms energy: -803.388220
where:
bonds (distance) C4'-P energy: -138.328
bonds (distance) P-C4' energy: -146.769
flat angles C4'-P-C4' energy: -172.981
flat angles P-C4'-P energy: -119.228
tors. eta vs tors. theta energy: -226.082
Dist. restrs. and SS energy: 5.474 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -2486.289157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2486.289157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2494.693446 (E_RNA)
where:
Base-Base interactions energy: -1761.163
where: short stacking energy: -750.893
Base-Backbone interact. energy: -2.853
local terms energy: -730.677758
where:
bonds (distance) C4'-P energy: -132.000
bonds (distance) P-C4' energy: -133.734
flat angles C4'-P-C4' energy: -148.180
flat angles P-C4'-P energy: -105.311
tors. eta vs tors. theta energy: -211.454
Dist. restrs. and SS energy: 8.404 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -2414.514937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2414.514937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2422.920337 (E_RNA)
where:
Base-Base interactions energy: -1715.391
where: short stacking energy: -714.110
Base-Backbone interact. energy: 2.155
local terms energy: -709.683872
where:
bonds (distance) C4'-P energy: -132.443
bonds (distance) P-C4' energy: -114.236
flat angles C4'-P-C4' energy: -161.947
flat angles P-C4'-P energy: -95.706
tors. eta vs tors. theta energy: -205.352
Dist. restrs. and SS energy: 8.405 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -2309.162034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2309.162034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2315.325783 (E_RNA)
where:
Base-Base interactions energy: -1636.901
where: short stacking energy: -656.532
Base-Backbone interact. energy: 2.979
local terms energy: -681.404258
where:
bonds (distance) C4'-P energy: -131.296
bonds (distance) P-C4' energy: -115.475
flat angles C4'-P-C4' energy: -143.347
flat angles P-C4'-P energy: -95.486
tors. eta vs tors. theta energy: -195.801
Dist. restrs. and SS energy: 6.164 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -2219.900492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2219.900492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2234.088309 (E_RNA)
where:
Base-Base interactions energy: -1544.763
where: short stacking energy: -657.030
Base-Backbone interact. energy: -3.015
local terms energy: -686.310049
where:
bonds (distance) C4'-P energy: -121.799
bonds (distance) P-C4' energy: -137.634
flat angles C4'-P-C4' energy: -148.443
flat angles P-C4'-P energy: -91.754
tors. eta vs tors. theta energy: -186.681
Dist. restrs. and SS energy: 14.188 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -2086.310162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2086.310162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2097.751257 (E_RNA)
where:
Base-Base interactions energy: -1504.621
where: short stacking energy: -598.320
Base-Backbone interact. energy: 5.736
local terms energy: -598.866646
where:
bonds (distance) C4'-P energy: -113.693
bonds (distance) P-C4' energy: -116.137
flat angles C4'-P-C4' energy: -144.870
flat angles P-C4'-P energy: -67.117
tors. eta vs tors. theta energy: -157.049
Dist. restrs. and SS energy: 11.441 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -2010.836687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2010.836687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2029.274644 (E_RNA)
where:
Base-Base interactions energy: -1419.873
where: short stacking energy: -592.573
Base-Backbone interact. energy: -0.711
local terms energy: -608.690595
where:
bonds (distance) C4'-P energy: -118.590
bonds (distance) P-C4' energy: -91.522
flat angles C4'-P-C4' energy: -131.253
flat angles P-C4'-P energy: -92.753
tors. eta vs tors. theta energy: -174.573
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: 10, replica: 3
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -1944.977245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1944.977245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.867607 (E_RNA)
where:
Base-Base interactions energy: -1371.703
where: short stacking energy: -561.890
Base-Backbone interact. energy: -3.297
local terms energy: -589.867655
where:
bonds (distance) C4'-P energy: -109.205
bonds (distance) P-C4' energy: -117.614
flat angles C4'-P-C4' energy: -131.554
flat angles P-C4'-P energy: -83.766
tors. eta vs tors. theta energy: -147.729
Dist. restrs. and SS energy: 19.890 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -2696.511184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2696.511184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2703.177526 (E_RNA)
where:
Base-Base interactions energy: -1881.158
where: short stacking energy: -797.812
Base-Backbone interact. energy: -3.801
local terms energy: -818.218089
where:
bonds (distance) C4'-P energy: -147.295
bonds (distance) P-C4' energy: -153.578
flat angles C4'-P-C4' energy: -174.855
flat angles P-C4'-P energy: -99.513
tors. eta vs tors. theta energy: -242.977
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: 2, replica: 7
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -2579.037042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2579.037042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2595.109986 (E_RNA)
where:
Base-Base interactions energy: -1807.344
where: short stacking energy: -757.834
Base-Backbone interact. energy: -1.758
local terms energy: -786.008777
where:
bonds (distance) C4'-P energy: -149.096
bonds (distance) P-C4' energy: -134.017
flat angles C4'-P-C4' energy: -168.641
flat angles P-C4'-P energy: -110.447
tors. eta vs tors. theta energy: -223.808
Dist. restrs. and SS energy: 16.073 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -2522.350888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2522.350888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2534.319593 (E_RNA)
where:
Base-Base interactions energy: -1796.666
where: short stacking energy: -752.747
Base-Backbone interact. energy: -3.550
local terms energy: -734.103007
where:
bonds (distance) C4'-P energy: -114.303
bonds (distance) P-C4' energy: -146.913
flat angles C4'-P-C4' energy: -159.284
flat angles P-C4'-P energy: -102.233
tors. eta vs tors. theta energy: -211.370
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: 8
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -2467.353310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2467.353310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2476.797518 (E_RNA)
where:
Base-Base interactions energy: -1730.207
where: short stacking energy: -754.847
Base-Backbone interact. energy: -2.046
local terms energy: -744.543785
where:
bonds (distance) C4'-P energy: -125.782
bonds (distance) P-C4' energy: -129.537
flat angles C4'-P-C4' energy: -157.969
flat angles P-C4'-P energy: -105.213
tors. eta vs tors. theta energy: -226.043
Dist. restrs. and SS energy: 9.444 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -2423.566545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2423.566545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2428.970899 (E_RNA)
where:
Base-Base interactions energy: -1709.390
where: short stacking energy: -716.186
Base-Backbone interact. energy: -0.074
local terms energy: -719.506988
where:
bonds (distance) C4'-P energy: -116.118
bonds (distance) P-C4' energy: -124.625
flat angles C4'-P-C4' energy: -160.313
flat angles P-C4'-P energy: -99.550
tors. eta vs tors. theta energy: -218.901
Dist. restrs. and SS energy: 5.404 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -2302.134516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2302.134516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2306.881485 (E_RNA)
where:
Base-Base interactions energy: -1605.626
where: short stacking energy: -670.981
Base-Backbone interact. energy: -2.061
local terms energy: -699.194088
where:
bonds (distance) C4'-P energy: -127.315
bonds (distance) P-C4' energy: -141.071
flat angles C4'-P-C4' energy: -142.945
flat angles P-C4'-P energy: -92.634
tors. eta vs tors. theta energy: -195.229
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: 7, replica: 6
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -2236.099014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2236.099014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2247.355027 (E_RNA)
where:
Base-Base interactions energy: -1578.110
where: short stacking energy: -661.514
Base-Backbone interact. energy: 0.014
local terms energy: -669.259046
where:
bonds (distance) C4'-P energy: -112.921
bonds (distance) P-C4' energy: -127.975
flat angles C4'-P-C4' energy: -145.545
flat angles P-C4'-P energy: -86.275
tors. eta vs tors. theta energy: -196.543
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: 8, replica: 1
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -2134.732266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2134.732266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2149.206691 (E_RNA)
where:
Base-Base interactions energy: -1522.877
where: short stacking energy: -606.229
Base-Backbone interact. energy: -2.877
local terms energy: -623.452762
where:
bonds (distance) C4'-P energy: -127.614
bonds (distance) P-C4' energy: -113.979
flat angles C4'-P-C4' energy: -126.964
flat angles P-C4'-P energy: -74.159
tors. eta vs tors. theta energy: -180.737
Dist. restrs. and SS energy: 14.474 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -2053.495796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2053.495796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2068.499218 (E_RNA)
where:
Base-Base interactions energy: -1444.506
where: short stacking energy: -609.774
Base-Backbone interact. energy: 0.048
local terms energy: -624.041038
where:
bonds (distance) C4'-P energy: -108.935
bonds (distance) P-C4' energy: -111.998
flat angles C4'-P-C4' energy: -145.740
flat angles P-C4'-P energy: -80.509
tors. eta vs tors. theta energy: -176.861
Dist. restrs. and SS energy: 15.003 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -1957.731928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1957.731928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1975.662460 (E_RNA)
where:
Base-Base interactions energy: -1380.004
where: short stacking energy: -578.716
Base-Backbone interact. energy: -2.685
local terms energy: -592.974056
where:
bonds (distance) C4'-P energy: -111.729
bonds (distance) P-C4' energy: -118.022
flat angles C4'-P-C4' energy: -134.563
flat angles P-C4'-P energy: -73.977
tors. eta vs tors. theta energy: -154.682
Dist. restrs. and SS energy: 17.931 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -2693.903233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2693.903233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2700.941776 (E_RNA)
where:
Base-Base interactions energy: -1876.206
where: short stacking energy: -791.569
Base-Backbone interact. energy: -6.148
local terms energy: -818.587725
where:
bonds (distance) C4'-P energy: -137.025
bonds (distance) P-C4' energy: -155.342
flat angles C4'-P-C4' energy: -173.351
flat angles P-C4'-P energy: -109.851
tors. eta vs tors. theta energy: -243.019
Dist. restrs. and SS energy: 7.039 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -2579.307727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2579.307727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2594.198830 (E_RNA)
where:
Base-Base interactions energy: -1824.343
where: short stacking energy: -789.906
Base-Backbone interact. energy: -4.131
local terms energy: -765.724449
where:
bonds (distance) C4'-P energy: -130.862
bonds (distance) P-C4' energy: -145.460
flat angles C4'-P-C4' energy: -158.163
flat angles P-C4'-P energy: -110.865
tors. eta vs tors. theta energy: -220.374
Dist. restrs. and SS energy: 14.891 (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: 9
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -2556.378442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2556.378442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2566.695892 (E_RNA)
where:
Base-Base interactions energy: -1799.363
where: short stacking energy: -752.076
Base-Backbone interact. energy: -3.773
local terms energy: -763.559636
where:
bonds (distance) C4'-P energy: -150.708
bonds (distance) P-C4' energy: -135.572
flat angles C4'-P-C4' energy: -158.618
flat angles P-C4'-P energy: -99.726
tors. eta vs tors. theta energy: -218.935
Dist. restrs. and SS energy: 10.317 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -2457.461621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2457.461621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2464.542281 (E_RNA)
where:
Base-Base interactions energy: -1728.854
where: short stacking energy: -707.070
Base-Backbone interact. energy: 1.178
local terms energy: -736.865476
where:
bonds (distance) C4'-P energy: -131.412
bonds (distance) P-C4' energy: -142.830
flat angles C4'-P-C4' energy: -159.871
flat angles P-C4'-P energy: -90.055
tors. eta vs tors. theta energy: -212.698
Dist. restrs. and SS energy: 7.081 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -2394.427346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2394.427346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2401.559103 (E_RNA)
where:
Base-Base interactions energy: -1652.948
where: short stacking energy: -720.637
Base-Backbone interact. energy: -2.360
local terms energy: -746.251901
where:
bonds (distance) C4'-P energy: -130.456
bonds (distance) P-C4' energy: -148.672
flat angles C4'-P-C4' energy: -163.188
flat angles P-C4'-P energy: -95.639
tors. eta vs tors. theta energy: -208.297
Dist. restrs. and SS energy: 7.132 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -2297.727013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2297.727013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2306.870344 (E_RNA)
where:
Base-Base interactions energy: -1666.190
where: short stacking energy: -691.933
Base-Backbone interact. energy: -1.175
local terms energy: -639.505322
where:
bonds (distance) C4'-P energy: -105.458
bonds (distance) P-C4' energy: -122.243
flat angles C4'-P-C4' energy: -139.647
flat angles P-C4'-P energy: -86.260
tors. eta vs tors. theta energy: -185.897
Dist. restrs. and SS energy: 9.143 (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: 107
Temperature: 1.200000
Total energy: -2267.998625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2267.998625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2277.929368 (E_RNA)
where:
Base-Base interactions energy: -1602.125
where: short stacking energy: -665.214
Base-Backbone interact. energy: -3.764
local terms energy: -672.040507
where:
bonds (distance) C4'-P energy: -129.681
bonds (distance) P-C4' energy: -108.943
flat angles C4'-P-C4' energy: -146.165
flat angles P-C4'-P energy: -83.624
tors. eta vs tors. theta energy: -203.628
Dist. restrs. and SS energy: 9.931 (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: 4
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -2087.676947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2087.676947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.491962 (E_RNA)
where:
Base-Base interactions energy: -1495.449
where: short stacking energy: -615.069
Base-Backbone interact. energy: 0.236
local terms energy: -603.279630
where:
bonds (distance) C4'-P energy: -116.363
bonds (distance) P-C4' energy: -107.433
flat angles C4'-P-C4' energy: -125.292
flat angles P-C4'-P energy: -66.812
tors. eta vs tors. theta energy: -187.380
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: 9, replica: 1
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -2021.257376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2021.257376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.711165 (E_RNA)
where:
Base-Base interactions energy: -1430.877
where: short stacking energy: -592.075
Base-Backbone interact. energy: -0.724
local terms energy: -602.110614
where:
bonds (distance) C4'-P energy: -94.733
bonds (distance) P-C4' energy: -123.617
flat angles C4'-P-C4' energy: -128.186
flat angles P-C4'-P energy: -96.988
tors. eta vs tors. theta energy: -158.586
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: 10, replica: 3
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -1989.174510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1989.174510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2004.486424 (E_RNA)
where:
Base-Base interactions energy: -1393.473
where: short stacking energy: -582.183
Base-Backbone interact. energy: -0.549
local terms energy: -610.465252
where:
bonds (distance) C4'-P energy: -115.798
bonds (distance) P-C4' energy: -119.970
flat angles C4'-P-C4' energy: -135.209
flat angles P-C4'-P energy: -76.974
tors. eta vs tors. theta energy: -162.514
Dist. restrs. and SS energy: 15.312 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -2700.972137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2700.972137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2707.864356 (E_RNA)
where:
Base-Base interactions energy: -1888.148
where: short stacking energy: -806.182
Base-Backbone interact. energy: -3.160
local terms energy: -816.555836
where:
bonds (distance) C4'-P energy: -138.948
bonds (distance) P-C4' energy: -150.956
flat angles C4'-P-C4' energy: -175.747
flat angles P-C4'-P energy: -115.744
tors. eta vs tors. theta energy: -235.160
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: 2, replica: 7
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -2579.678133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2579.678133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2595.702907 (E_RNA)
where:
Base-Base interactions energy: -1816.615
where: short stacking energy: -787.119
Base-Backbone interact. energy: -0.390
local terms energy: -778.697817
where:
bonds (distance) C4'-P energy: -136.015
bonds (distance) P-C4' energy: -138.791
flat angles C4'-P-C4' energy: -160.799
flat angles P-C4'-P energy: -105.600
tors. eta vs tors. theta energy: -237.494
Dist. restrs. and SS energy: 16.025 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -2521.132089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2521.132089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2527.328999 (E_RNA)
where:
Base-Base interactions energy: -1762.472
where: short stacking energy: -756.665
Base-Backbone interact. energy: -1.894
local terms energy: -762.962824
where:
bonds (distance) C4'-P energy: -128.920
bonds (distance) P-C4' energy: -140.112
flat angles C4'-P-C4' energy: -162.260
flat angles P-C4'-P energy: -95.622
tors. eta vs tors. theta energy: -236.048
Dist. restrs. and SS energy: 6.197 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -2491.634007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2491.634007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2497.291690 (E_RNA)
where:
Base-Base interactions energy: -1761.398
where: short stacking energy: -758.617
Base-Backbone interact. energy: -1.349
local terms energy: -734.544292
where:
bonds (distance) C4'-P energy: -121.427
bonds (distance) P-C4' energy: -121.471
flat angles C4'-P-C4' energy: -154.685
flat angles P-C4'-P energy: -117.114
tors. eta vs tors. theta energy: -219.847
Dist. restrs. and SS energy: 5.658 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -2375.605126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2375.605126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2386.643607 (E_RNA)
where:
Base-Base interactions energy: -1669.731
where: short stacking energy: -707.111
Base-Backbone interact. energy: 0.322
local terms energy: -717.234254
where:
bonds (distance) C4'-P energy: -124.718
bonds (distance) P-C4' energy: -126.727
flat angles C4'-P-C4' energy: -157.995
flat angles P-C4'-P energy: -103.686
tors. eta vs tors. theta energy: -204.109
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: 6, replica: 5
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -2312.344227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2312.344227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2319.989438 (E_RNA)
where:
Base-Base interactions energy: -1649.308
where: short stacking energy: -661.750
Base-Backbone interact. energy: -4.865
local terms energy: -665.816674
where:
bonds (distance) C4'-P energy: -140.953
bonds (distance) P-C4' energy: -112.365
flat angles C4'-P-C4' energy: -140.008
flat angles P-C4'-P energy: -80.838
tors. eta vs tors. theta energy: -191.654
Dist. restrs. and SS energy: 7.645 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -2207.267866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2207.267866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2220.542906 (E_RNA)
where:
Base-Base interactions energy: -1556.398
where: short stacking energy: -669.559
Base-Backbone interact. energy: -3.061
local terms energy: -661.083618
where:
bonds (distance) C4'-P energy: -92.216
bonds (distance) P-C4' energy: -111.504
flat angles C4'-P-C4' energy: -134.793
flat angles P-C4'-P energy: -116.807
tors. eta vs tors. theta energy: -205.764
Dist. restrs. and SS energy: 13.275 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -2109.907310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2109.907310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2121.464217 (E_RNA)
where:
Base-Base interactions energy: -1499.509
where: short stacking energy: -629.862
Base-Backbone interact. energy: -0.486
local terms energy: -621.469530
where:
bonds (distance) C4'-P energy: -91.322
bonds (distance) P-C4' energy: -127.660
flat angles C4'-P-C4' energy: -138.293
flat angles P-C4'-P energy: -81.703
tors. eta vs tors. theta energy: -182.493
Dist. restrs. and SS energy: 11.557 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -2007.508957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2007.508957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2022.621007 (E_RNA)
where:
Base-Base interactions energy: -1432.708
where: short stacking energy: -571.820
Base-Backbone interact. energy: -4.615
local terms energy: -585.297915
where:
bonds (distance) C4'-P energy: -90.105
bonds (distance) P-C4' energy: -129.246
flat angles C4'-P-C4' energy: -117.636
flat angles P-C4'-P energy: -90.255
tors. eta vs tors. theta energy: -158.055
Dist. restrs. and SS energy: 15.112 (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: 108
Temperature: 1.350000
Total energy: -2013.823608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2013.823608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2034.933824 (E_RNA)
where:
Base-Base interactions energy: -1408.396
where: short stacking energy: -578.970
Base-Backbone interact. energy: -3.449
local terms energy: -623.088300
where:
bonds (distance) C4'-P energy: -103.357
bonds (distance) P-C4' energy: -115.018
flat angles C4'-P-C4' energy: -148.701
flat angles P-C4'-P energy: -88.944
tors. eta vs tors. theta energy: -167.068
Dist. restrs. and SS energy: 21.110 (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: 10
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -2710.062976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2710.062976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2716.782279 (E_RNA)
where:
Base-Base interactions energy: -1892.216
where: short stacking energy: -809.798
Base-Backbone interact. energy: -4.208
local terms energy: -820.358160
where:
bonds (distance) C4'-P energy: -148.581
bonds (distance) P-C4' energy: -150.182
flat angles C4'-P-C4' energy: -169.519
flat angles P-C4'-P energy: -116.347
tors. eta vs tors. theta energy: -235.730
Dist. restrs. and SS energy: 6.719 (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: 7
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -2546.491673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2546.491673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2565.445943 (E_RNA)
where:
Base-Base interactions energy: -1795.548
where: short stacking energy: -764.407
Base-Backbone interact. energy: -5.308
local terms energy: -764.589300
where:
bonds (distance) C4'-P energy: -149.979
bonds (distance) P-C4' energy: -126.007
flat angles C4'-P-C4' energy: -153.655
flat angles P-C4'-P energy: -112.058
tors. eta vs tors. theta energy: -222.890
Dist. restrs. and SS energy: 18.954 (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: 8
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -2506.185374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2506.185374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2511.064134 (E_RNA)
where:
Base-Base interactions energy: -1772.719
where: short stacking energy: -716.807
Base-Backbone interact. energy: 0.851
local terms energy: -739.196315
where:
bonds (distance) C4'-P energy: -123.848
bonds (distance) P-C4' energy: -145.008
flat angles C4'-P-C4' energy: -159.881
flat angles P-C4'-P energy: -97.484
tors. eta vs tors. theta energy: -212.975
Dist. restrs. and SS energy: 4.879 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -2541.248390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2541.248390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2549.190334 (E_RNA)
where:
Base-Base interactions energy: -1784.315
where: short stacking energy: -765.225
Base-Backbone interact. energy: -2.420
local terms energy: -762.455598
where:
bonds (distance) C4'-P energy: -147.374
bonds (distance) P-C4' energy: -135.135
flat angles C4'-P-C4' energy: -152.090
flat angles P-C4'-P energy: -101.458
tors. eta vs tors. theta energy: -226.399
Dist. restrs. and SS energy: 7.942 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -2408.111608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2408.111608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2415.434041 (E_RNA)
where:
Base-Base interactions energy: -1701.329
where: short stacking energy: -713.656
Base-Backbone interact. energy: -3.485
local terms energy: -710.620528
where:
bonds (distance) C4'-P energy: -124.477
bonds (distance) P-C4' energy: -126.307
flat angles C4'-P-C4' energy: -143.262
flat angles P-C4'-P energy: -105.572
tors. eta vs tors. theta energy: -211.003
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: 6, replica: 5
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -2317.458695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2317.458695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2326.487304 (E_RNA)
where:
Base-Base interactions energy: -1620.741
where: short stacking energy: -675.868
Base-Backbone interact. energy: -2.314
local terms energy: -703.432202
where:
bonds (distance) C4'-P energy: -133.540
bonds (distance) P-C4' energy: -120.063
flat angles C4'-P-C4' energy: -159.707
flat angles P-C4'-P energy: -99.534
tors. eta vs tors. theta energy: -190.588
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: 7, replica: 6
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -2235.718985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2235.718985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2248.696558 (E_RNA)
where:
Base-Base interactions energy: -1578.052
where: short stacking energy: -652.337
Base-Backbone interact. energy: -0.613
local terms energy: -670.031533
where:
bonds (distance) C4'-P energy: -109.470
bonds (distance) P-C4' energy: -133.614
flat angles C4'-P-C4' energy: -143.388
flat angles P-C4'-P energy: -87.330
tors. eta vs tors. theta energy: -196.230
Dist. restrs. and SS energy: 12.978 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -2122.592125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2122.592125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2134.600108 (E_RNA)
where:
Base-Base interactions energy: -1492.473
where: short stacking energy: -621.473
Base-Backbone interact. energy: 2.953
local terms energy: -645.079879
where:
bonds (distance) C4'-P energy: -111.664
bonds (distance) P-C4' energy: -123.348
flat angles C4'-P-C4' energy: -138.632
flat angles P-C4'-P energy: -91.432
tors. eta vs tors. theta energy: -180.004
Dist. restrs. and SS energy: 12.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -1967.191349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1967.191349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1982.752334 (E_RNA)
where:
Base-Base interactions energy: -1423.922
where: short stacking energy: -578.389
Base-Backbone interact. energy: -5.359
local terms energy: -553.471728
where:
bonds (distance) C4'-P energy: -105.252
bonds (distance) P-C4' energy: -103.237
flat angles C4'-P-C4' energy: -120.421
flat angles P-C4'-P energy: -79.653
tors. eta vs tors. theta energy: -144.908
Dist. restrs. and SS energy: 15.561 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -1975.042004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1975.042004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1999.621823 (E_RNA)
where:
Base-Base interactions energy: -1442.540
where: short stacking energy: -604.222
Base-Backbone interact. energy: 3.165
local terms energy: -560.246460
where:
bonds (distance) C4'-P energy: -101.198
bonds (distance) P-C4' energy: -91.813
flat angles C4'-P-C4' energy: -116.484
flat angles P-C4'-P energy: -91.849
tors. eta vs tors. theta energy: -158.902
Dist. restrs. and SS energy: 24.580 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -2690.557382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2690.557382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2698.965236 (E_RNA)
where:
Base-Base interactions energy: -1872.160
where: short stacking energy: -802.601
Base-Backbone interact. energy: -2.300
local terms energy: -824.505067
where:
bonds (distance) C4'-P energy: -151.840
bonds (distance) P-C4' energy: -142.905
flat angles C4'-P-C4' energy: -171.198
flat angles P-C4'-P energy: -119.968
tors. eta vs tors. theta energy: -238.593
Dist. restrs. and SS energy: 8.408 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -2589.279623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2589.279623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2606.133083 (E_RNA)
where:
Base-Base interactions energy: -1804.451
where: short stacking energy: -746.792
Base-Backbone interact. energy: 1.069
local terms energy: -802.750796
where:
bonds (distance) C4'-P energy: -147.305
bonds (distance) P-C4' energy: -150.523
flat angles C4'-P-C4' energy: -167.563
flat angles P-C4'-P energy: -118.482
tors. eta vs tors. theta energy: -218.878
Dist. restrs. and SS energy: 16.853 (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: 110
Temperature: 1.000000
Total energy: -2529.213280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2529.213280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2535.414452 (E_RNA)
where:
Base-Base interactions energy: -1792.444
where: short stacking energy: -743.718
Base-Backbone interact. energy: -2.750
local terms energy: -740.220350
where:
bonds (distance) C4'-P energy: -136.260
bonds (distance) P-C4' energy: -125.099
flat angles C4'-P-C4' energy: -161.867
flat angles P-C4'-P energy: -101.578
tors. eta vs tors. theta energy: -215.416
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: 4, replica: 9
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -2493.478616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2493.478616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2500.220737 (E_RNA)
where:
Base-Base interactions energy: -1745.364
where: short stacking energy: -726.800
Base-Backbone interact. energy: -0.925
local terms energy: -753.931414
where:
bonds (distance) C4'-P energy: -146.827
bonds (distance) P-C4' energy: -135.184
flat angles C4'-P-C4' energy: -153.829
flat angles P-C4'-P energy: -102.720
tors. eta vs tors. theta energy: -215.371
Dist. restrs. and SS energy: 6.742 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -2422.675898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2422.675898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2430.133801 (E_RNA)
where:
Base-Base interactions energy: -1705.824
where: short stacking energy: -709.164
Base-Backbone interact. energy: -2.357
local terms energy: -721.952972
where:
bonds (distance) C4'-P energy: -137.732
bonds (distance) P-C4' energy: -130.981
flat angles C4'-P-C4' energy: -145.470
flat angles P-C4'-P energy: -100.971
tors. eta vs tors. theta energy: -206.799
Dist. restrs. and SS energy: 7.458 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -2334.399286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2334.399286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2341.714162 (E_RNA)
where:
Base-Base interactions energy: -1648.006
where: short stacking energy: -687.985
Base-Backbone interact. energy: -3.465
local terms energy: -690.242744
where:
bonds (distance) C4'-P energy: -132.488
bonds (distance) P-C4' energy: -102.840
flat angles C4'-P-C4' energy: -161.761
flat angles P-C4'-P energy: -93.390
tors. eta vs tors. theta energy: -199.763
Dist. restrs. and SS energy: 7.315 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -2262.856723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2262.856723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2271.363806 (E_RNA)
where:
Base-Base interactions energy: -1590.848
where: short stacking energy: -646.226
Base-Backbone interact. energy: -2.062
local terms energy: -678.453045
where:
bonds (distance) C4'-P energy: -128.723
bonds (distance) P-C4' energy: -118.897
flat angles C4'-P-C4' energy: -150.345
flat angles P-C4'-P energy: -77.599
tors. eta vs tors. theta energy: -202.889
Dist. restrs. and SS energy: 8.507 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -2104.943428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2104.943428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2125.755862 (E_RNA)
where:
Base-Base interactions energy: -1482.217
where: short stacking energy: -636.271
Base-Backbone interact. energy: 0.435
local terms energy: -643.973454
where:
bonds (distance) C4'-P energy: -112.246
bonds (distance) P-C4' energy: -110.710
flat angles C4'-P-C4' energy: -148.838
flat angles P-C4'-P energy: -88.085
tors. eta vs tors. theta energy: -184.094
Dist. restrs. and SS energy: 20.812 (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: 1
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -1987.429109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1987.429109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2007.688750 (E_RNA)
where:
Base-Base interactions energy: -1422.272
where: short stacking energy: -573.170
Base-Backbone interact. energy: -2.306
local terms energy: -583.111655
where:
bonds (distance) C4'-P energy: -104.730
bonds (distance) P-C4' energy: -112.246
flat angles C4'-P-C4' energy: -120.204
flat angles P-C4'-P energy: -96.405
tors. eta vs tors. theta energy: -149.527
Dist. restrs. and SS energy: 20.260 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -1982.124290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1982.124290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1994.454440 (E_RNA)
where:
Base-Base interactions energy: -1435.401
where: short stacking energy: -593.071
Base-Backbone interact. energy: -2.830
local terms energy: -556.223170
where:
bonds (distance) C4'-P energy: -96.150
bonds (distance) P-C4' energy: -98.384
flat angles C4'-P-C4' energy: -122.496
flat angles P-C4'-P energy: -79.480
tors. eta vs tors. theta energy: -159.712
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: 1, replica: 10
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -2700.234979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2700.234979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2706.972731 (E_RNA)
where:
Base-Base interactions energy: -1877.776
where: short stacking energy: -787.050
Base-Backbone interact. energy: -0.431
local terms energy: -828.765910
where:
bonds (distance) C4'-P energy: -147.011
bonds (distance) P-C4' energy: -146.935
flat angles C4'-P-C4' energy: -177.656
flat angles P-C4'-P energy: -123.281
tors. eta vs tors. theta energy: -233.883
Dist. restrs. and SS energy: 6.738 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -2599.221376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2599.221376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2617.864199 (E_RNA)
where:
Base-Base interactions energy: -1842.626
where: short stacking energy: -782.017
Base-Backbone interact. energy: 0.662
local terms energy: -775.900508
where:
bonds (distance) C4'-P energy: -143.416
bonds (distance) P-C4' energy: -128.983
flat angles C4'-P-C4' energy: -163.561
flat angles P-C4'-P energy: -113.799
tors. eta vs tors. theta energy: -226.142
Dist. restrs. and SS energy: 18.643 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -2524.889711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2524.889711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2530.984251 (E_RNA)
where:
Base-Base interactions energy: -1763.952
where: short stacking energy: -747.442
Base-Backbone interact. energy: -3.099
local terms energy: -763.933970
where:
bonds (distance) C4'-P energy: -139.063
bonds (distance) P-C4' energy: -143.078
flat angles C4'-P-C4' energy: -149.998
flat angles P-C4'-P energy: -104.832
tors. eta vs tors. theta energy: -226.964
Dist. restrs. and SS energy: 6.095 (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: 2
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -2486.400449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2486.400449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2493.120631 (E_RNA)
where:
Base-Base interactions energy: -1757.879
where: short stacking energy: -743.923
Base-Backbone interact. energy: -4.829
local terms energy: -730.412463
where:
bonds (distance) C4'-P energy: -125.727
bonds (distance) P-C4' energy: -123.354
flat angles C4'-P-C4' energy: -159.918
flat angles P-C4'-P energy: -106.932
tors. eta vs tors. theta energy: -214.483
Dist. restrs. and SS energy: 6.720 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -2432.937587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2432.937587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2443.381502 (E_RNA)
where:
Base-Base interactions energy: -1726.324
where: short stacking energy: -704.790
Base-Backbone interact. energy: 1.578
local terms energy: -718.635375
where:
bonds (distance) C4'-P energy: -126.011
bonds (distance) P-C4' energy: -127.717
flat angles C4'-P-C4' energy: -156.599
flat angles P-C4'-P energy: -95.652
tors. eta vs tors. theta energy: -212.656
Dist. restrs. and SS energy: 10.444 (S_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: 111
Temperature: 1.150000
Total energy: -2339.286314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2339.286314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2352.724303 (E_RNA)
where:
Base-Base interactions energy: -1678.514
where: short stacking energy: -693.045
Base-Backbone interact. energy: 2.599
local terms energy: -676.809017
where:
bonds (distance) C4'-P energy: -107.968
bonds (distance) P-C4' energy: -125.022
flat angles C4'-P-C4' energy: -154.366
flat angles P-C4'-P energy: -80.924
tors. eta vs tors. theta energy: -208.529
Dist. restrs. and SS energy: 13.438 (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: 6
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -2247.914477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2247.914477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2261.154569 (E_RNA)
where:
Base-Base interactions energy: -1602.044
where: short stacking energy: -667.128
Base-Backbone interact. energy: -5.211
local terms energy: -653.899902
where:
bonds (distance) C4'-P energy: -117.047
bonds (distance) P-C4' energy: -111.381
flat angles C4'-P-C4' energy: -144.374
flat angles P-C4'-P energy: -87.770
tors. eta vs tors. theta energy: -193.327
Dist. restrs. and SS energy: 13.240 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -2099.844908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2099.844908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2116.775092 (E_RNA)
where:
Base-Base interactions energy: -1485.427
where: short stacking energy: -627.066
Base-Backbone interact. energy: -1.010
local terms energy: -630.338580
where:
bonds (distance) C4'-P energy: -94.783
bonds (distance) P-C4' energy: -135.883
flat angles C4'-P-C4' energy: -133.597
flat angles P-C4'-P energy: -82.760
tors. eta vs tors. theta energy: -183.315
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: 9, replica: 1
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -1975.238215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1975.238215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.594060 (E_RNA)
where:
Base-Base interactions energy: -1377.509
where: short stacking energy: -561.749
Base-Backbone interact. energy: -3.754
local terms energy: -625.331515
where:
bonds (distance) C4'-P energy: -105.695
bonds (distance) P-C4' energy: -125.016
flat angles C4'-P-C4' energy: -135.017
flat angles P-C4'-P energy: -93.143
tors. eta vs tors. theta energy: -166.461
Dist. restrs. and SS energy: 31.356 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -2002.168116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2002.168116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2024.546842 (E_RNA)
where:
Base-Base interactions energy: -1403.824
where: short stacking energy: -567.175
Base-Backbone interact. energy: 0.474
local terms energy: -621.196306
where:
bonds (distance) C4'-P energy: -127.246
bonds (distance) P-C4' energy: -119.760
flat angles C4'-P-C4' energy: -140.241
flat angles P-C4'-P energy: -72.105
tors. eta vs tors. theta energy: -161.844
Dist. restrs. and SS energy: 22.379 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -2711.797063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2711.797063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2717.108397 (E_RNA)
where:
Base-Base interactions energy: -1893.580
where: short stacking energy: -827.012
Base-Backbone interact. energy: -6.480
local terms energy: -817.049109
where:
bonds (distance) C4'-P energy: -150.680
bonds (distance) P-C4' energy: -146.811
flat angles C4'-P-C4' energy: -158.126
flat angles P-C4'-P energy: -113.903
tors. eta vs tors. theta energy: -247.529
Dist. restrs. and SS energy: 5.311 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -2613.053593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2613.053593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2628.245298 (E_RNA)
where:
Base-Base interactions energy: -1853.927
where: short stacking energy: -783.235
Base-Backbone interact. energy: -1.713
local terms energy: -772.605808
where:
bonds (distance) C4'-P energy: -141.057
bonds (distance) P-C4' energy: -139.654
flat angles C4'-P-C4' energy: -152.978
flat angles P-C4'-P energy: -106.598
tors. eta vs tors. theta energy: -232.320
Dist. restrs. and SS energy: 15.192 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -2580.575537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2580.575537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2586.149640 (E_RNA)
where:
Base-Base interactions energy: -1818.984
where: short stacking energy: -782.285
Base-Backbone interact. energy: 2.387
local terms energy: -769.552844
where:
bonds (distance) C4'-P energy: -130.543
bonds (distance) P-C4' energy: -154.553
flat angles C4'-P-C4' energy: -158.787
flat angles P-C4'-P energy: -102.009
tors. eta vs tors. theta energy: -223.661
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: 4, replica: 8
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -2462.748534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2462.748534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2467.622084 (E_RNA)
where:
Base-Base interactions energy: -1737.394
where: short stacking energy: -734.387
Base-Backbone interact. energy: -2.355
local terms energy: -727.873466
where:
bonds (distance) C4'-P energy: -123.890
bonds (distance) P-C4' energy: -132.444
flat angles C4'-P-C4' energy: -152.601
flat angles P-C4'-P energy: -108.038
tors. eta vs tors. theta energy: -210.901
Dist. restrs. and SS energy: 4.874 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -2430.734056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2430.734056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2437.720379 (E_RNA)
where:
Base-Base interactions energy: -1730.079
where: short stacking energy: -741.125
Base-Backbone interact. energy: -1.896
local terms energy: -705.745115
where:
bonds (distance) C4'-P energy: -123.387
bonds (distance) P-C4' energy: -129.899
flat angles C4'-P-C4' energy: -153.524
flat angles P-C4'-P energy: -97.486
tors. eta vs tors. theta energy: -201.449
Dist. restrs. and SS energy: 6.986 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -2323.597823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2323.597823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2334.081604 (E_RNA)
where:
Base-Base interactions energy: -1637.469
where: short stacking energy: -668.697
Base-Backbone interact. energy: -0.363
local terms energy: -696.249173
where:
bonds (distance) C4'-P energy: -142.587
bonds (distance) P-C4' energy: -113.450
flat angles C4'-P-C4' energy: -143.003
flat angles P-C4'-P energy: -97.752
tors. eta vs tors. theta energy: -199.458
Dist. restrs. and SS energy: 10.484 (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: 112
Temperature: 1.200000
Total energy: -2256.897231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2256.897231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2268.635718 (E_RNA)
where:
Base-Base interactions energy: -1599.775
where: short stacking energy: -666.448
Base-Backbone interact. energy: -0.234
local terms energy: -668.626530
where:
bonds (distance) C4'-P energy: -110.318
bonds (distance) P-C4' energy: -121.531
flat angles C4'-P-C4' energy: -149.227
flat angles P-C4'-P energy: -87.499
tors. eta vs tors. theta energy: -200.052
Dist. restrs. and SS energy: 11.738 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -2113.943345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2113.943345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2131.657356 (E_RNA)
where:
Base-Base interactions energy: -1488.897
where: short stacking energy: -627.873
Base-Backbone interact. energy: -3.710
local terms energy: -639.050586
where:
bonds (distance) C4'-P energy: -109.333
bonds (distance) P-C4' energy: -113.888
flat angles C4'-P-C4' energy: -133.379
flat angles P-C4'-P energy: -95.225
tors. eta vs tors. theta energy: -187.225
Dist. restrs. and SS energy: 17.714 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -1982.391813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1982.391813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.580370 (E_RNA)
where:
Base-Base interactions energy: -1389.195
where: short stacking energy: -568.017
Base-Backbone interact. energy: -2.276
local terms energy: -605.109208
where:
bonds (distance) C4'-P energy: -114.892
bonds (distance) P-C4' energy: -118.279
flat angles C4'-P-C4' energy: -137.603
flat angles P-C4'-P energy: -79.577
tors. eta vs tors. theta energy: -154.758
Dist. restrs. and SS energy: 14.189 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -1966.611873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1966.611873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1986.043062 (E_RNA)
where:
Base-Base interactions energy: -1392.608
where: short stacking energy: -566.876
Base-Backbone interact. energy: -4.103
local terms energy: -589.331126
where:
bonds (distance) C4'-P energy: -105.976
bonds (distance) P-C4' energy: -109.544
flat angles C4'-P-C4' energy: -136.898
flat angles P-C4'-P energy: -76.509
tors. eta vs tors. theta energy: -160.405
Dist. restrs. and SS energy: 19.431 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -2667.554603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2667.554603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2672.168834 (E_RNA)
where:
Base-Base interactions energy: -1862.238
where: short stacking energy: -781.108
Base-Backbone interact. energy: -1.869
local terms energy: -808.062412
where:
bonds (distance) C4'-P energy: -133.325
bonds (distance) P-C4' energy: -155.074
flat angles C4'-P-C4' energy: -165.833
flat angles P-C4'-P energy: -115.573
tors. eta vs tors. theta energy: -238.258
Dist. restrs. and SS energy: 4.614 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -2578.823534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2578.823534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2589.063056 (E_RNA)
where:
Base-Base interactions energy: -1813.985
where: short stacking energy: -756.145
Base-Backbone interact. energy: -2.923
local terms energy: -772.155538
where:
bonds (distance) C4'-P energy: -152.334
bonds (distance) P-C4' energy: -123.271
flat angles C4'-P-C4' energy: -161.262
flat angles P-C4'-P energy: -101.086
tors. eta vs tors. theta energy: -234.203
Dist. restrs. and SS energy: 10.240 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -2568.951019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2568.951019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2574.803741 (E_RNA)
where:
Base-Base interactions energy: -1804.491
where: short stacking energy: -769.730
Base-Backbone interact. energy: 0.195
local terms energy: -770.508321
where:
bonds (distance) C4'-P energy: -130.693
bonds (distance) P-C4' energy: -140.744
flat angles C4'-P-C4' energy: -156.522
flat angles P-C4'-P energy: -109.922
tors. eta vs tors. theta energy: -232.627
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: 8
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -2459.272165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2459.272165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2463.947236 (E_RNA)
where:
Base-Base interactions energy: -1723.111
where: short stacking energy: -744.371
Base-Backbone interact. energy: -1.979
local terms energy: -738.857471
where:
bonds (distance) C4'-P energy: -116.018
bonds (distance) P-C4' energy: -133.529
flat angles C4'-P-C4' energy: -155.115
flat angles P-C4'-P energy: -113.667
tors. eta vs tors. theta energy: -220.528
Dist. restrs. and SS energy: 4.675 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -2415.757312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2415.757312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2422.487412 (E_RNA)
where:
Base-Base interactions energy: -1698.586
where: short stacking energy: -698.701
Base-Backbone interact. energy: -4.088
local terms energy: -719.813286
where:
bonds (distance) C4'-P energy: -111.697
bonds (distance) P-C4' energy: -141.333
flat angles C4'-P-C4' energy: -169.137
flat angles P-C4'-P energy: -91.204
tors. eta vs tors. theta energy: -206.442
Dist. restrs. and SS energy: 6.730 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -2329.933375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2329.933375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2337.248592 (E_RNA)
where:
Base-Base interactions energy: -1621.270
where: short stacking energy: -690.496
Base-Backbone interact. energy: -5.530
local terms energy: -710.448045
where:
bonds (distance) C4'-P energy: -121.065
bonds (distance) P-C4' energy: -125.844
flat angles C4'-P-C4' energy: -149.404
flat angles P-C4'-P energy: -105.471
tors. eta vs tors. theta energy: -208.663
Dist. restrs. and SS energy: 7.315 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -2279.865431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2279.865431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2293.394255 (E_RNA)
where:
Base-Base interactions energy: -1622.625
where: short stacking energy: -697.807
Base-Backbone interact. energy: -2.646
local terms energy: -668.122930
where:
bonds (distance) C4'-P energy: -115.424
bonds (distance) P-C4' energy: -125.633
flat angles C4'-P-C4' energy: -149.818
flat angles P-C4'-P energy: -74.895
tors. eta vs tors. theta energy: -202.353
Dist. restrs. and SS energy: 13.529 (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: 4
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -2152.213227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2152.213227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2172.531413 (E_RNA)
where:
Base-Base interactions energy: -1484.012
where: short stacking energy: -622.353
Base-Backbone interact. energy: -3.650
local terms energy: -684.869725
where:
bonds (distance) C4'-P energy: -116.421
bonds (distance) P-C4' energy: -124.438
flat angles C4'-P-C4' energy: -143.515
flat angles P-C4'-P energy: -106.194
tors. eta vs tors. theta energy: -194.302
Dist. restrs. and SS energy: 20.318 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -2039.940337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2039.940337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2058.087947 (E_RNA)
where:
Base-Base interactions energy: -1444.142
where: short stacking energy: -588.013
Base-Backbone interact. energy: 1.576
local terms energy: -615.521935
where:
bonds (distance) C4'-P energy: -118.730
bonds (distance) P-C4' energy: -115.497
flat angles C4'-P-C4' energy: -130.677
flat angles P-C4'-P energy: -97.766
tors. eta vs tors. theta energy: -152.852
Dist. restrs. and SS energy: 18.148 (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: 113
Temperature: 1.350000
Total energy: -1929.626459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1929.626459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1953.262798 (E_RNA)
where:
Base-Base interactions energy: -1334.439
where: short stacking energy: -536.321
Base-Backbone interact. energy: 4.075
local terms energy: -622.898382
where:
bonds (distance) C4'-P energy: -121.428
bonds (distance) P-C4' energy: -125.114
flat angles C4'-P-C4' energy: -147.484
flat angles P-C4'-P energy: -84.233
tors. eta vs tors. theta energy: -144.640
Dist. restrs. and SS energy: 23.636 (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: 10
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -2667.680374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2667.680374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2672.511084 (E_RNA)
where:
Base-Base interactions energy: -1871.673
where: short stacking energy: -791.428
Base-Backbone interact. energy: 1.767
local terms energy: -802.604323
where:
bonds (distance) C4'-P energy: -138.600
bonds (distance) P-C4' energy: -162.439
flat angles C4'-P-C4' energy: -157.436
flat angles P-C4'-P energy: -102.831
tors. eta vs tors. theta energy: -241.298
Dist. restrs. and SS energy: 4.831 (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: 114
Temperature: 0.950000
Total energy: -2592.006551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2592.006551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2602.948155 (E_RNA)
where:
Base-Base interactions energy: -1835.484
where: short stacking energy: -784.517
Base-Backbone interact. energy: -3.723
local terms energy: -763.740860
where:
bonds (distance) C4'-P energy: -148.196
bonds (distance) P-C4' energy: -128.945
flat angles C4'-P-C4' energy: -163.263
flat angles P-C4'-P energy: -95.548
tors. eta vs tors. theta energy: -227.789
Dist. restrs. and SS energy: 10.942 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -2507.841900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2507.841900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2511.088514 (E_RNA)
where:
Base-Base interactions energy: -1789.876
where: short stacking energy: -751.233
Base-Backbone interact. energy: 0.139
local terms energy: -721.351793
where:
bonds (distance) C4'-P energy: -122.223
bonds (distance) P-C4' energy: -146.258
flat angles C4'-P-C4' energy: -162.784
flat angles P-C4'-P energy: -84.318
tors. eta vs tors. theta energy: -205.769
Dist. restrs. and SS energy: 3.247 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -2478.516821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2478.516821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2484.229726 (E_RNA)
where:
Base-Base interactions energy: -1732.182
where: short stacking energy: -720.798
Base-Backbone interact. energy: -2.254
local terms energy: -749.793576
where:
bonds (distance) C4'-P energy: -136.368
bonds (distance) P-C4' energy: -135.813
flat angles C4'-P-C4' energy: -154.461
flat angles P-C4'-P energy: -97.897
tors. eta vs tors. theta energy: -225.254
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: 5, replica: 9
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -2444.551524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2444.551524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2450.249312 (E_RNA)
where:
Base-Base interactions energy: -1710.920
where: short stacking energy: -733.731
Base-Backbone interact. energy: 1.893
local terms energy: -741.222255
where:
bonds (distance) C4'-P energy: -134.740
bonds (distance) P-C4' energy: -118.622
flat angles C4'-P-C4' energy: -157.766
flat angles P-C4'-P energy: -110.445
tors. eta vs tors. theta energy: -219.650
Dist. restrs. and SS energy: 5.698 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -2340.627843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2340.627843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2348.039686 (E_RNA)
where:
Base-Base interactions energy: -1635.890
where: short stacking energy: -675.813
Base-Backbone interact. energy: -3.227
local terms energy: -708.922034
where:
bonds (distance) C4'-P energy: -128.461
bonds (distance) P-C4' energy: -126.483
flat angles C4'-P-C4' energy: -151.863
flat angles P-C4'-P energy: -100.323
tors. eta vs tors. theta energy: -201.792
Dist. restrs. and SS energy: 7.412 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -2272.486506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2272.486506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2292.715312 (E_RNA)
where:
Base-Base interactions energy: -1620.575
where: short stacking energy: -687.281
Base-Backbone interact. energy: 1.278
local terms energy: -673.418045
where:
bonds (distance) C4'-P energy: -115.570
bonds (distance) P-C4' energy: -127.467
flat angles C4'-P-C4' energy: -151.265
flat angles P-C4'-P energy: -75.646
tors. eta vs tors. theta energy: -203.471
Dist. restrs. and SS energy: 20.229 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -2127.398578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2127.398578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2140.694496 (E_RNA)
where:
Base-Base interactions energy: -1502.637
where: short stacking energy: -632.234
Base-Backbone interact. energy: -2.091
local terms energy: -635.966547
where:
bonds (distance) C4'-P energy: -108.188
bonds (distance) P-C4' energy: -126.975
flat angles C4'-P-C4' energy: -133.523
flat angles P-C4'-P energy: -76.622
tors. eta vs tors. theta energy: -190.658
Dist. restrs. and SS energy: 13.296 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -1972.703698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.703698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.189184 (E_RNA)
where:
Base-Base interactions energy: -1414.602
where: short stacking energy: -589.470
Base-Backbone interact. energy: -1.311
local terms energy: -575.276098
where:
bonds (distance) C4'-P energy: -117.977
bonds (distance) P-C4' energy: -111.774
flat angles C4'-P-C4' energy: -101.676
flat angles P-C4'-P energy: -78.890
tors. eta vs tors. theta energy: -164.959
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: 10, replica: 3
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -1925.984969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.984969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.543827 (E_RNA)
where:
Base-Base interactions energy: -1389.724
where: short stacking energy: -543.028
Base-Backbone interact. energy: 0.228
local terms energy: -554.047599
where:
bonds (distance) C4'-P energy: -95.889
bonds (distance) P-C4' energy: -133.849
flat angles C4'-P-C4' energy: -101.124
flat angles P-C4'-P energy: -82.078
tors. eta vs tors. theta energy: -141.108
Dist. restrs. and SS energy: 17.559 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -2669.127930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2669.127930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2677.112332 (E_RNA)
where:
Base-Base interactions energy: -1854.853
where: short stacking energy: -803.944
Base-Backbone interact. energy: -4.492
local terms energy: -817.767357
where:
bonds (distance) C4'-P energy: -136.423
bonds (distance) P-C4' energy: -150.239
flat angles C4'-P-C4' energy: -176.639
flat angles P-C4'-P energy: -120.551
tors. eta vs tors. theta energy: -233.916
Dist. restrs. and SS energy: 7.984 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -2559.599822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2559.599822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2570.034366 (E_RNA)
where:
Base-Base interactions energy: -1793.663
where: short stacking energy: -726.806
Base-Backbone interact. energy: 2.694
local terms energy: -779.065048
where:
bonds (distance) C4'-P energy: -147.407
bonds (distance) P-C4' energy: -137.867
flat angles C4'-P-C4' energy: -164.654
flat angles P-C4'-P energy: -114.156
tors. eta vs tors. theta energy: -214.981
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: 115
Temperature: 1.000000
Total energy: -2548.612743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2548.612743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2554.019362 (E_RNA)
where:
Base-Base interactions energy: -1799.929
where: short stacking energy: -741.165
Base-Backbone interact. energy: -1.110
local terms energy: -752.980316
where:
bonds (distance) C4'-P energy: -135.861
bonds (distance) P-C4' energy: -145.234
flat angles C4'-P-C4' energy: -157.074
flat angles P-C4'-P energy: -86.400
tors. eta vs tors. theta energy: -228.411
Dist. restrs. and SS energy: 5.407 (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: 2
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -2484.859696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2484.859696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2492.450467 (E_RNA)
where:
Base-Base interactions energy: -1757.346
where: short stacking energy: -747.198
Base-Backbone interact. energy: -3.139
local terms energy: -731.964617
where:
bonds (distance) C4'-P energy: -107.815
bonds (distance) P-C4' energy: -155.318
flat angles C4'-P-C4' energy: -161.337
flat angles P-C4'-P energy: -88.131
tors. eta vs tors. theta energy: -219.363
Dist. restrs. and SS energy: 7.591 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -2448.663107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2448.663107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2454.866660 (E_RNA)
where:
Base-Base interactions energy: -1699.573
where: short stacking energy: -707.519
Base-Backbone interact. energy: -4.678
local terms energy: -750.615542
where:
bonds (distance) C4'-P energy: -131.323
bonds (distance) P-C4' energy: -136.084
flat angles C4'-P-C4' energy: -170.699
flat angles P-C4'-P energy: -106.006
tors. eta vs tors. theta energy: -206.504
Dist. restrs. and SS energy: 6.204 (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: 6
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -2326.459187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2326.459187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2336.037511 (E_RNA)
where:
Base-Base interactions energy: -1653.677
where: short stacking energy: -692.533
Base-Backbone interact. energy: -1.214
local terms energy: -681.146121
where:
bonds (distance) C4'-P energy: -111.430
bonds (distance) P-C4' energy: -132.203
flat angles C4'-P-C4' energy: -145.320
flat angles P-C4'-P energy: -95.958
tors. eta vs tors. theta energy: -196.234
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: 7, replica: 5
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -2274.469176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2274.469176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2285.604555 (E_RNA)
where:
Base-Base interactions energy: -1600.642
where: short stacking energy: -661.587
Base-Backbone interact. energy: -2.398
local terms energy: -682.564876
where:
bonds (distance) C4'-P energy: -131.959
bonds (distance) P-C4' energy: -122.675
flat angles C4'-P-C4' energy: -147.550
flat angles P-C4'-P energy: -86.314
tors. eta vs tors. theta energy: -194.067
Dist. restrs. and SS energy: 11.135 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -2120.267837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2120.267837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2129.498529 (E_RNA)
where:
Base-Base interactions energy: -1514.023
where: short stacking energy: -629.931
Base-Backbone interact. energy: -2.366
local terms energy: -613.110270
where:
bonds (distance) C4'-P energy: -97.564
bonds (distance) P-C4' energy: -104.972
flat angles C4'-P-C4' energy: -142.967
flat angles P-C4'-P energy: -88.280
tors. eta vs tors. theta energy: -179.327
Dist. restrs. and SS energy: 9.231 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -2012.507393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2012.507393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.885469 (E_RNA)
where:
Base-Base interactions energy: -1411.452
where: short stacking energy: -582.213
Base-Backbone interact. energy: -2.393
local terms energy: -612.040308
where:
bonds (distance) C4'-P energy: -99.842
bonds (distance) P-C4' energy: -137.784
flat angles C4'-P-C4' energy: -135.449
flat angles P-C4'-P energy: -80.106
tors. eta vs tors. theta energy: -158.860
Dist. restrs. and SS energy: 13.378 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -1945.116596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1945.116596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1978.921753 (E_RNA)
where:
Base-Base interactions energy: -1393.670
where: short stacking energy: -578.642
Base-Backbone interact. energy: 0.077
local terms energy: -585.328110
where:
bonds (distance) C4'-P energy: -112.878
bonds (distance) P-C4' energy: -98.357
flat angles C4'-P-C4' energy: -136.873
flat angles P-C4'-P energy: -79.292
tors. eta vs tors. theta energy: -157.928
Dist. restrs. and SS energy: 33.805 (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: 10
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -2676.238335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2676.238335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2684.257619 (E_RNA)
where:
Base-Base interactions energy: -1859.472
where: short stacking energy: -805.034
Base-Backbone interact. energy: -3.836
local terms energy: -820.949496
where:
bonds (distance) C4'-P energy: -143.610
bonds (distance) P-C4' energy: -137.775
flat angles C4'-P-C4' energy: -173.965
flat angles P-C4'-P energy: -116.627
tors. eta vs tors. theta energy: -248.973
Dist. restrs. and SS energy: 8.019 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -2571.865270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2571.865270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2586.756320 (E_RNA)
where:
Base-Base interactions energy: -1825.680
where: short stacking energy: -753.810
Base-Backbone interact. energy: -3.773
local terms energy: -757.303034
where:
bonds (distance) C4'-P energy: -144.600
bonds (distance) P-C4' energy: -137.967
flat angles C4'-P-C4' energy: -156.084
flat angles P-C4'-P energy: -95.193
tors. eta vs tors. theta energy: -223.459
Dist. restrs. and SS energy: 14.891 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -2552.661632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2552.661632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2556.557709 (E_RNA)
where:
Base-Base interactions energy: -1788.600
where: short stacking energy: -747.071
Base-Backbone interact. energy: 2.374
local terms energy: -770.331995
where:
bonds (distance) C4'-P energy: -126.485
bonds (distance) P-C4' energy: -137.951
flat angles C4'-P-C4' energy: -168.454
flat angles P-C4'-P energy: -110.019
tors. eta vs tors. theta energy: -227.421
Dist. restrs. and SS energy: 3.896 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -2464.378546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2464.378546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2473.523668 (E_RNA)
where:
Base-Base interactions energy: -1741.984
where: short stacking energy: -707.988
Base-Backbone interact. energy: -2.419
local terms energy: -729.120694
where:
bonds (distance) C4'-P energy: -136.043
bonds (distance) P-C4' energy: -134.635
flat angles C4'-P-C4' energy: -156.418
flat angles P-C4'-P energy: -104.518
tors. eta vs tors. theta energy: -197.506
Dist. restrs. and SS energy: 9.145 (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: 116
Temperature: 1.100000
Total energy: -2425.994949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2425.994949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2431.802628 (E_RNA)
where:
Base-Base interactions energy: -1710.992
where: short stacking energy: -719.768
Base-Backbone interact. energy: -3.308
local terms energy: -717.502400
where:
bonds (distance) C4'-P energy: -118.038
bonds (distance) P-C4' energy: -137.527
flat angles C4'-P-C4' energy: -147.158
flat angles P-C4'-P energy: -107.068
tors. eta vs tors. theta energy: -207.711
Dist. restrs. and SS energy: 5.808 (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: 6
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -2320.645572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2320.645572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2330.587815 (E_RNA)
where:
Base-Base interactions energy: -1641.542
where: short stacking energy: -678.202
Base-Backbone interact. energy: -2.375
local terms energy: -686.670651
where:
bonds (distance) C4'-P energy: -123.709
bonds (distance) P-C4' energy: -125.553
flat angles C4'-P-C4' energy: -145.338
flat angles P-C4'-P energy: -91.493
tors. eta vs tors. theta energy: -200.578
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: 7, replica: 5
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -2287.110779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2287.110779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2295.628218 (E_RNA)
where:
Base-Base interactions energy: -1615.248
where: short stacking energy: -681.773
Base-Backbone interact. energy: -2.307
local terms energy: -678.073373
where:
bonds (distance) C4'-P energy: -115.746
bonds (distance) P-C4' energy: -133.273
flat angles C4'-P-C4' energy: -133.581
flat angles P-C4'-P energy: -90.757
tors. eta vs tors. theta energy: -204.715
Dist. restrs. and SS energy: 8.517 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -2129.578758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2129.578758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2147.571381 (E_RNA)
where:
Base-Base interactions energy: -1489.189
where: short stacking energy: -629.548
Base-Backbone interact. energy: -4.864
local terms energy: -653.518441
where:
bonds (distance) C4'-P energy: -107.014
bonds (distance) P-C4' energy: -127.134
flat angles C4'-P-C4' energy: -150.592
flat angles P-C4'-P energy: -80.185
tors. eta vs tors. theta energy: -188.594
Dist. restrs. and SS energy: 17.993 (S_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: -1999.997281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1999.997281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2024.926173 (E_RNA)
where:
Base-Base interactions energy: -1445.515
where: short stacking energy: -588.320
Base-Backbone interact. energy: -1.372
local terms energy: -578.039142
where:
bonds (distance) C4'-P energy: -95.719
bonds (distance) P-C4' energy: -84.931
flat angles C4'-P-C4' energy: -144.039
flat angles P-C4'-P energy: -88.489
tors. eta vs tors. theta energy: -164.861
Dist. restrs. and SS energy: 24.929 (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: 1
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -1877.240532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.240532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1904.793721 (E_RNA)
where:
Base-Base interactions energy: -1352.804
where: short stacking energy: -563.945
Base-Backbone interact. energy: -3.230
local terms energy: -548.760578
where:
bonds (distance) C4'-P energy: -106.416
bonds (distance) P-C4' energy: -96.179
flat angles C4'-P-C4' energy: -122.614
flat angles P-C4'-P energy: -73.555
tors. eta vs tors. theta energy: -149.997
Dist. restrs. and SS energy: 27.553 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -2691.038112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2691.038112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2696.188924 (E_RNA)
where:
Base-Base interactions energy: -1879.085
where: short stacking energy: -816.050
Base-Backbone interact. energy: -1.367
local terms energy: -815.737406
where:
bonds (distance) C4'-P energy: -138.318
bonds (distance) P-C4' energy: -156.198
flat angles C4'-P-C4' energy: -179.023
flat angles P-C4'-P energy: -112.367
tors. eta vs tors. theta energy: -229.831
Dist. restrs. and SS energy: 5.151 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -2620.022602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2620.022602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2629.030506 (E_RNA)
where:
Base-Base interactions energy: -1804.765
where: short stacking energy: -767.947
Base-Backbone interact. energy: -3.514
local terms energy: -820.751332
where:
bonds (distance) C4'-P energy: -153.646
bonds (distance) P-C4' energy: -155.266
flat angles C4'-P-C4' energy: -173.206
flat angles P-C4'-P energy: -114.813
tors. eta vs tors. theta energy: -223.820
Dist. restrs. and SS energy: 9.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -2566.906342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2566.906342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2572.210211 (E_RNA)
where:
Base-Base interactions energy: -1769.662
where: short stacking energy: -762.432
Base-Backbone interact. energy: -3.186
local terms energy: -799.362063
where:
bonds (distance) C4'-P energy: -135.423
bonds (distance) P-C4' energy: -142.222
flat angles C4'-P-C4' energy: -183.868
flat angles P-C4'-P energy: -107.546
tors. eta vs tors. theta energy: -230.303
Dist. restrs. and SS energy: 5.304 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -2441.100302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2441.100302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2453.856606 (E_RNA)
where:
Base-Base interactions energy: -1702.733
where: short stacking energy: -701.821
Base-Backbone interact. energy: -1.788
local terms energy: -749.335650
where:
bonds (distance) C4'-P energy: -134.539
bonds (distance) P-C4' energy: -143.229
flat angles C4'-P-C4' energy: -145.718
flat angles P-C4'-P energy: -113.841
tors. eta vs tors. theta energy: -212.009
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: 5, replica: 9
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -2430.925537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2430.925537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2440.166747 (E_RNA)
where:
Base-Base interactions energy: -1703.735
where: short stacking energy: -688.672
Base-Backbone interact. energy: -5.991
local terms energy: -730.440443
where:
bonds (distance) C4'-P energy: -134.067
bonds (distance) P-C4' energy: -139.481
flat angles C4'-P-C4' energy: -155.949
flat angles P-C4'-P energy: -98.472
tors. eta vs tors. theta energy: -202.472
Dist. restrs. and SS energy: 9.241 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -2356.679751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2356.679751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2362.285964 (E_RNA)
where:
Base-Base interactions energy: -1646.713
where: short stacking energy: -715.420
Base-Backbone interact. energy: -2.819
local terms energy: -712.754009
where:
bonds (distance) C4'-P energy: -109.205
bonds (distance) P-C4' energy: -129.269
flat angles C4'-P-C4' energy: -158.071
flat angles P-C4'-P energy: -88.122
tors. eta vs tors. theta energy: -228.087
Dist. restrs. and SS energy: 5.606 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -2262.441245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2262.441245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2271.907569 (E_RNA)
where:
Base-Base interactions energy: -1599.346
where: short stacking energy: -661.869
Base-Backbone interact. energy: -0.359
local terms energy: -672.202361
where:
bonds (distance) C4'-P energy: -139.973
bonds (distance) P-C4' energy: -111.053
flat angles C4'-P-C4' energy: -138.661
flat angles P-C4'-P energy: -88.310
tors. eta vs tors. theta energy: -194.206
Dist. restrs. and SS energy: 9.466 (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: 4
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -2117.124198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2117.124198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2132.613221 (E_RNA)
where:
Base-Base interactions energy: -1494.174
where: short stacking energy: -636.313
Base-Backbone interact. energy: -3.254
local terms energy: -635.185209
where:
bonds (distance) C4'-P energy: -124.104
bonds (distance) P-C4' energy: -96.350
flat angles C4'-P-C4' energy: -144.917
flat angles P-C4'-P energy: -91.561
tors. eta vs tors. theta energy: -178.254
Dist. restrs. and SS energy: 15.489 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -2046.254547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2046.254547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2057.593994 (E_RNA)
where:
Base-Base interactions energy: -1466.197
where: short stacking energy: -611.116
Base-Backbone interact. energy: -1.997
local terms energy: -589.400359
where:
bonds (distance) C4'-P energy: -94.111
bonds (distance) P-C4' energy: -120.084
flat angles C4'-P-C4' energy: -139.164
flat angles P-C4'-P energy: -72.947
tors. eta vs tors. theta energy: -163.094
Dist. restrs. and SS energy: 11.339 (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: 1
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -1917.192717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.192717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1936.399301 (E_RNA)
where:
Base-Base interactions energy: -1367.530
where: short stacking energy: -579.473
Base-Backbone interact. energy: -2.235
local terms energy: -566.633608
where:
bonds (distance) C4'-P energy: -110.653
bonds (distance) P-C4' energy: -94.209
flat angles C4'-P-C4' energy: -130.184
flat angles P-C4'-P energy: -70.551
tors. eta vs tors. theta energy: -161.036
Dist. restrs. and SS energy: 19.207 (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: 10
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -2661.336536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2661.336536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2665.428127 (E_RNA)
where:
Base-Base interactions energy: -1877.496
where: short stacking energy: -802.885
Base-Backbone interact. energy: -3.955
local terms energy: -783.976956
where:
bonds (distance) C4'-P energy: -128.353
bonds (distance) P-C4' energy: -148.575
flat angles C4'-P-C4' energy: -168.145
flat angles P-C4'-P energy: -122.852
tors. eta vs tors. theta energy: -216.051
Dist. restrs. and SS energy: 4.092 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -2582.189397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2582.189397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2592.913884 (E_RNA)
where:
Base-Base interactions energy: -1802.870
where: short stacking energy: -761.744
Base-Backbone interact. energy: -3.978
local terms energy: -786.065953
where:
bonds (distance) C4'-P energy: -145.303
bonds (distance) P-C4' energy: -149.344
flat angles C4'-P-C4' energy: -159.027
flat angles P-C4'-P energy: -107.940
tors. eta vs tors. theta energy: -224.451
Dist. restrs. and SS energy: 10.724 (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: 118
Temperature: 1.000000
Total energy: -2572.681832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2572.681832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2579.131262 (E_RNA)
where:
Base-Base interactions energy: -1811.885
where: short stacking energy: -767.828
Base-Backbone interact. energy: -2.746
local terms energy: -764.500384
where:
bonds (distance) C4'-P energy: -132.217
bonds (distance) P-C4' energy: -125.037
flat angles C4'-P-C4' energy: -165.241
flat angles P-C4'-P energy: -105.499
tors. eta vs tors. theta energy: -236.506
Dist. restrs. and SS energy: 6.449 (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: 2
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -2465.792613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2465.792613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2478.878120 (E_RNA)
where:
Base-Base interactions energy: -1738.808
where: short stacking energy: -734.994
Base-Backbone interact. energy: -2.731
local terms energy: -737.339329
where:
bonds (distance) C4'-P energy: -127.196
bonds (distance) P-C4' energy: -125.403
flat angles C4'-P-C4' energy: -162.767
flat angles P-C4'-P energy: -106.979
tors. eta vs tors. theta energy: -214.994
Dist. restrs. and SS energy: 13.086 (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: 118
Temperature: 1.100000
Total energy: -2388.503554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2388.503554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2396.535786 (E_RNA)
where:
Base-Base interactions energy: -1699.529
where: short stacking energy: -740.214
Base-Backbone interact. energy: -3.828
local terms energy: -693.179157
where:
bonds (distance) C4'-P energy: -112.037
bonds (distance) P-C4' energy: -127.639
flat angles C4'-P-C4' energy: -149.546
flat angles P-C4'-P energy: -90.730
tors. eta vs tors. theta energy: -213.228
Dist. restrs. and SS energy: 8.032 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -2368.036985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2368.036985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2374.548171 (E_RNA)
where:
Base-Base interactions energy: -1693.767
where: short stacking energy: -692.809
Base-Backbone interact. energy: 1.161
local terms energy: -681.942062
where:
bonds (distance) C4'-P energy: -123.816
bonds (distance) P-C4' energy: -129.700
flat angles C4'-P-C4' energy: -144.152
flat angles P-C4'-P energy: -88.892
tors. eta vs tors. theta energy: -195.383
Dist. restrs. and SS energy: 6.511 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -2255.145434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2255.145434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2264.916392 (E_RNA)
where:
Base-Base interactions energy: -1557.263
where: short stacking energy: -638.376
Base-Backbone interact. energy: -4.045
local terms energy: -703.609217
where:
bonds (distance) C4'-P energy: -126.041
bonds (distance) P-C4' energy: -128.411
flat angles C4'-P-C4' energy: -154.072
flat angles P-C4'-P energy: -104.780
tors. eta vs tors. theta energy: -190.305
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: 8, replica: 6
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -2187.579944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2187.579944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2199.014886 (E_RNA)
where:
Base-Base interactions energy: -1543.155
where: short stacking energy: -641.417
Base-Backbone interact. energy: -1.621
local terms energy: -654.239264
where:
bonds (distance) C4'-P energy: -109.303
bonds (distance) P-C4' energy: -128.663
flat angles C4'-P-C4' energy: -150.155
flat angles P-C4'-P energy: -69.982
tors. eta vs tors. theta energy: -196.136
Dist. restrs. and SS energy: 11.435 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -2008.259448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2008.259448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2027.540095 (E_RNA)
where:
Base-Base interactions energy: -1419.354
where: short stacking energy: -606.577
Base-Backbone interact. energy: -2.356
local terms energy: -605.829583
where:
bonds (distance) C4'-P energy: -95.554
bonds (distance) P-C4' energy: -132.210
flat angles C4'-P-C4' energy: -133.334
flat angles P-C4'-P energy: -74.895
tors. eta vs tors. theta energy: -169.836
Dist. restrs. and SS energy: 19.281 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -1979.577778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1979.577778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.747981 (E_RNA)
where:
Base-Base interactions energy: -1419.930
where: short stacking energy: -586.284
Base-Backbone interact. energy: 1.182
local terms energy: -577.999475
where:
bonds (distance) C4'-P energy: -109.456
bonds (distance) P-C4' energy: -110.749
flat angles C4'-P-C4' energy: -135.612
flat angles P-C4'-P energy: -60.645
tors. eta vs tors. theta energy: -161.538
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: 1, replica: 10
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -2686.016453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2686.016453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2693.052822 (E_RNA)
where:
Base-Base interactions energy: -1899.253
where: short stacking energy: -811.044
Base-Backbone interact. energy: -4.758
local terms energy: -789.041894
where:
bonds (distance) C4'-P energy: -143.784
bonds (distance) P-C4' energy: -138.034
flat angles C4'-P-C4' energy: -166.661
flat angles P-C4'-P energy: -112.867
tors. eta vs tors. theta energy: -227.696
Dist. restrs. and SS energy: 7.036 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -2585.309588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2585.309588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2594.061422 (E_RNA)
where:
Base-Base interactions energy: -1811.491
where: short stacking energy: -768.142
Base-Backbone interact. energy: -4.180
local terms energy: -778.389869
where:
bonds (distance) C4'-P energy: -148.219
bonds (distance) P-C4' energy: -147.254
flat angles C4'-P-C4' energy: -166.238
flat angles P-C4'-P energy: -105.779
tors. eta vs tors. theta energy: -210.900
Dist. restrs. and SS energy: 8.752 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -2553.102030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2553.102030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2559.156846 (E_RNA)
where:
Base-Base interactions energy: -1777.377
where: short stacking energy: -765.591
Base-Backbone interact. energy: -0.329
local terms energy: -781.450235
where:
bonds (distance) C4'-P energy: -142.398
bonds (distance) P-C4' energy: -140.149
flat angles C4'-P-C4' energy: -149.193
flat angles P-C4'-P energy: -117.949
tors. eta vs tors. theta energy: -231.762
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: 4, replica: 2
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -2476.944087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2476.944087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2481.102439 (E_RNA)
where:
Base-Base interactions energy: -1739.125
where: short stacking energy: -752.844
Base-Backbone interact. energy: -4.636
local terms energy: -737.342135
where:
bonds (distance) C4'-P energy: -114.662
bonds (distance) P-C4' energy: -133.772
flat angles C4'-P-C4' energy: -157.867
flat angles P-C4'-P energy: -98.193
tors. eta vs tors. theta energy: -232.848
Dist. restrs. and SS energy: 4.158 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -2418.701726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2418.701726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2424.883636 (E_RNA)
where:
Base-Base interactions energy: -1705.146
where: short stacking energy: -741.079
Base-Backbone interact. energy: -1.729
local terms energy: -718.009031
where:
bonds (distance) C4'-P energy: -121.923
bonds (distance) P-C4' energy: -137.447
flat angles C4'-P-C4' energy: -161.573
flat angles P-C4'-P energy: -84.376
tors. eta vs tors. theta energy: -212.691
Dist. restrs. and SS energy: 6.182 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -2344.057295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2344.057295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2354.790796 (E_RNA)
where:
Base-Base interactions energy: -1664.736
where: short stacking energy: -704.623
Base-Backbone interact. energy: -0.383
local terms energy: -689.672267
where:
bonds (distance) C4'-P energy: -126.783
bonds (distance) P-C4' energy: -126.800
flat angles C4'-P-C4' energy: -144.631
flat angles P-C4'-P energy: -84.788
tors. eta vs tors. theta energy: -206.670
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: 7, replica: 4
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -2228.385959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2228.385959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2238.610101 (E_RNA)
where:
Base-Base interactions energy: -1595.447
where: short stacking energy: -680.658
Base-Backbone interact. energy: -2.991
local terms energy: -640.173015
where:
bonds (distance) C4'-P energy: -101.995
bonds (distance) P-C4' energy: -111.954
flat angles C4'-P-C4' energy: -143.914
flat angles P-C4'-P energy: -76.743
tors. eta vs tors. theta energy: -205.567
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: 8, replica: 6
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -2165.261141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2165.261141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2178.049661 (E_RNA)
where:
Base-Base interactions energy: -1553.690
where: short stacking energy: -665.086
Base-Backbone interact. energy: -3.893
local terms energy: -620.466594
where:
bonds (distance) C4'-P energy: -107.364
bonds (distance) P-C4' energy: -92.937
flat angles C4'-P-C4' energy: -126.653
flat angles P-C4'-P energy: -90.577
tors. eta vs tors. theta energy: -202.937
Dist. restrs. and SS energy: 12.789 (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: 3
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -2097.555610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2097.555610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2109.742723 (E_RNA)
where:
Base-Base interactions energy: -1455.488
where: short stacking energy: -610.950
Base-Backbone interact. energy: -1.735
local terms energy: -652.519557
where:
bonds (distance) C4'-P energy: -129.418
bonds (distance) P-C4' energy: -111.548
flat angles C4'-P-C4' energy: -131.723
flat angles P-C4'-P energy: -89.894
tors. eta vs tors. theta energy: -189.936
Dist. restrs. and SS energy: 12.187 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -1996.756802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1996.756802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2028.172291 (E_RNA)
where:
Base-Base interactions energy: -1409.991
where: short stacking energy: -594.532
Base-Backbone interact. energy: -1.524
local terms energy: -616.658015
where:
bonds (distance) C4'-P energy: -120.271
bonds (distance) P-C4' energy: -137.144
flat angles C4'-P-C4' energy: -123.815
flat angles P-C4'-P energy: -71.912
tors. eta vs tors. theta energy: -163.516
Dist. restrs. and SS energy: 31.415 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -2671.343697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2671.343697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2676.169840 (E_RNA)
where:
Base-Base interactions energy: -1878.117
where: short stacking energy: -774.277
Base-Backbone interact. energy: -2.019
local terms energy: -796.034033
where:
bonds (distance) C4'-P energy: -148.392
bonds (distance) P-C4' energy: -153.203
flat angles C4'-P-C4' energy: -171.623
flat angles P-C4'-P energy: -105.437
tors. eta vs tors. theta energy: -217.380
Dist. restrs. and SS energy: 4.826 (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: 120
Temperature: 0.950000
Total energy: -2595.698288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2595.698288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2605.751066 (E_RNA)
where:
Base-Base interactions energy: -1833.362
where: short stacking energy: -752.124
Base-Backbone interact. energy: -2.619
local terms energy: -769.770343
where:
bonds (distance) C4'-P energy: -129.803
bonds (distance) P-C4' energy: -148.392
flat angles C4'-P-C4' energy: -163.959
flat angles P-C4'-P energy: -105.099
tors. eta vs tors. theta energy: -222.517
Dist. restrs. and SS energy: 10.053 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -2551.555853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2551.555853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2555.001002 (E_RNA)
where:
Base-Base interactions energy: -1768.016
where: short stacking energy: -743.852
Base-Backbone interact. energy: -0.822
local terms energy: -786.162805
where:
bonds (distance) C4'-P energy: -142.087
bonds (distance) P-C4' energy: -142.152
flat angles C4'-P-C4' energy: -154.704
flat angles P-C4'-P energy: -114.513
tors. eta vs tors. theta energy: -232.707
Dist. restrs. and SS energy: 3.445 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -2472.344801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2472.344801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2478.455307 (E_RNA)
where:
Base-Base interactions energy: -1740.394
where: short stacking energy: -735.006
Base-Backbone interact. energy: -2.124
local terms energy: -735.937709
where:
bonds (distance) C4'-P energy: -129.433
bonds (distance) P-C4' energy: -126.215
flat angles C4'-P-C4' energy: -160.083
flat angles P-C4'-P energy: -100.880
tors. eta vs tors. theta energy: -219.326
Dist. restrs. and SS energy: 6.111 (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: 5
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -2394.947133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2394.947133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2404.007460 (E_RNA)
where:
Base-Base interactions energy: -1695.102
where: short stacking energy: -717.135
Base-Backbone interact. energy: -1.706
local terms energy: -707.200156
where:
bonds (distance) C4'-P energy: -123.626
bonds (distance) P-C4' energy: -133.503
flat angles C4'-P-C4' energy: -155.370
flat angles P-C4'-P energy: -86.638
tors. eta vs tors. theta energy: -208.063
Dist. restrs. and SS energy: 9.060 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -2362.485805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2362.485805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2368.980103 (E_RNA)
where:
Base-Base interactions energy: -1641.869
where: short stacking energy: -705.266
Base-Backbone interact. energy: -2.873
local terms energy: -724.237959
where:
bonds (distance) C4'-P energy: -116.122
bonds (distance) P-C4' energy: -135.993
flat angles C4'-P-C4' energy: -158.834
flat angles P-C4'-P energy: -97.861
tors. eta vs tors. theta energy: -215.429
Dist. restrs. and SS energy: 6.494 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -2191.041605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2191.041605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2205.968010 (E_RNA)
where:
Base-Base interactions energy: -1552.610
where: short stacking energy: -627.649
Base-Backbone interact. energy: -1.026
local terms energy: -652.331730
where:
bonds (distance) C4'-P energy: -101.970
bonds (distance) P-C4' energy: -113.395
flat angles C4'-P-C4' energy: -158.736
flat angles P-C4'-P energy: -87.133
tors. eta vs tors. theta energy: -191.098
Dist. restrs. and SS energy: 14.926 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -2193.486248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2193.486248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2203.585372 (E_RNA)
where:
Base-Base interactions energy: -1538.045
where: short stacking energy: -654.307
Base-Backbone interact. energy: 4.921
local terms energy: -670.461947
where:
bonds (distance) C4'-P energy: -113.550
bonds (distance) P-C4' energy: -124.051
flat angles C4'-P-C4' energy: -138.671
flat angles P-C4'-P energy: -103.253
tors. eta vs tors. theta energy: -190.936
Dist. restrs. and SS energy: 10.099 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -2036.805095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2036.805095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2061.993445 (E_RNA)
where:
Base-Base interactions energy: -1405.185
where: short stacking energy: -596.880
Base-Backbone interact. energy: -1.096
local terms energy: -655.712633
where:
bonds (distance) C4'-P energy: -123.355
bonds (distance) P-C4' energy: -129.275
flat angles C4'-P-C4' energy: -141.072
flat angles P-C4'-P energy: -82.215
tors. eta vs tors. theta energy: -179.795
Dist. restrs. and SS energy: 25.188 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -1957.256138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1957.256138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1977.822732 (E_RNA)
where:
Base-Base interactions energy: -1378.016
where: short stacking energy: -574.037
Base-Backbone interact. energy: -0.599
local terms energy: -599.207748
where:
bonds (distance) C4'-P energy: -119.354
bonds (distance) P-C4' energy: -103.545
flat angles C4'-P-C4' energy: -128.885
flat angles P-C4'-P energy: -76.695
tors. eta vs tors. theta energy: -170.729
Dist. restrs. and SS energy: 20.567 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -2661.932014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2661.932014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2667.368956 (E_RNA)
where:
Base-Base interactions energy: -1854.090
where: short stacking energy: -783.998
Base-Backbone interact. energy: -0.824
local terms energy: -812.454359
where:
bonds (distance) C4'-P energy: -132.851
bonds (distance) P-C4' energy: -158.584
flat angles C4'-P-C4' energy: -181.216
flat angles P-C4'-P energy: -115.836
tors. eta vs tors. theta energy: -223.968
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: 2, replica: 8
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -2629.491330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2629.491330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2635.424073 (E_RNA)
where:
Base-Base interactions energy: -1831.082
where: short stacking energy: -752.125
Base-Backbone interact. energy: 0.027
local terms energy: -804.368890
where:
bonds (distance) C4'-P energy: -147.219
bonds (distance) P-C4' energy: -155.963
flat angles C4'-P-C4' energy: -169.166
flat angles P-C4'-P energy: -106.956
tors. eta vs tors. theta energy: -225.066
Dist. restrs. and SS energy: 5.933 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -2521.178350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2521.178350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2529.883948 (E_RNA)
where:
Base-Base interactions energy: -1776.347
where: short stacking energy: -742.246
Base-Backbone interact. energy: 2.196
local terms energy: -755.733403
where:
bonds (distance) C4'-P energy: -132.151
bonds (distance) P-C4' energy: -148.339
flat angles C4'-P-C4' energy: -157.192
flat angles P-C4'-P energy: -93.568
tors. eta vs tors. theta energy: -224.483
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: 4, replica: 2
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -2482.788195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2482.788195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2490.205581 (E_RNA)
where:
Base-Base interactions energy: -1729.402
where: short stacking energy: -735.050
Base-Backbone interact. energy: -1.242
local terms energy: -759.561688
where:
bonds (distance) C4'-P energy: -154.879
bonds (distance) P-C4' energy: -127.099
flat angles C4'-P-C4' energy: -153.192
flat angles P-C4'-P energy: -103.856
tors. eta vs tors. theta energy: -220.536
Dist. restrs. and SS energy: 7.417 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -2375.549927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2375.549927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2384.338619 (E_RNA)
where:
Base-Base interactions energy: -1671.000
where: short stacking energy: -699.207
Base-Backbone interact. energy: -3.999
local terms energy: -709.340233
where:
bonds (distance) C4'-P energy: -104.674
bonds (distance) P-C4' energy: -128.955
flat angles C4'-P-C4' energy: -159.755
flat angles P-C4'-P energy: -102.959
tors. eta vs tors. theta energy: -212.998
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: 6, replica: 9
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -2325.294242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2325.294242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2335.790018 (E_RNA)
where:
Base-Base interactions energy: -1628.869
where: short stacking energy: -671.978
Base-Backbone interact. energy: 2.073
local terms energy: -708.993822
where:
bonds (distance) C4'-P energy: -135.571
bonds (distance) P-C4' energy: -134.890
flat angles C4'-P-C4' energy: -155.271
flat angles P-C4'-P energy: -90.982
tors. eta vs tors. theta energy: -192.280
Dist. restrs. and SS energy: 10.496 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -2225.310777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2225.310777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2238.194558 (E_RNA)
where:
Base-Base interactions energy: -1589.534
where: short stacking energy: -672.200
Base-Backbone interact. energy: -3.796
local terms energy: -644.865295
where:
bonds (distance) C4'-P energy: -109.168
bonds (distance) P-C4' energy: -125.629
flat angles C4'-P-C4' energy: -124.918
flat angles P-C4'-P energy: -91.989
tors. eta vs tors. theta energy: -193.161
Dist. restrs. and SS energy: 12.884 (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: 3
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -2075.759455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2075.759455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.689301 (E_RNA)
where:
Base-Base interactions energy: -1478.242
where: short stacking energy: -587.163
Base-Backbone interact. energy: -0.434
local terms energy: -617.012712
where:
bonds (distance) C4'-P energy: -86.046
bonds (distance) P-C4' energy: -114.730
flat angles C4'-P-C4' energy: -140.587
flat angles P-C4'-P energy: -83.806
tors. eta vs tors. theta energy: -191.843
Dist. restrs. and SS energy: 19.930 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -2106.280456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2106.280456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2115.655835 (E_RNA)
where:
Base-Base interactions energy: -1487.023
where: short stacking energy: -626.916
Base-Backbone interact. energy: 2.384
local terms energy: -631.016850
where:
bonds (distance) C4'-P energy: -120.892
bonds (distance) P-C4' energy: -100.062
flat angles C4'-P-C4' energy: -144.291
flat angles P-C4'-P energy: -97.821
tors. eta vs tors. theta energy: -167.951
Dist. restrs. and SS energy: 9.375 (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: 1
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -2003.749177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2003.749177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2022.063335 (E_RNA)
where:
Base-Base interactions energy: -1419.202
where: short stacking energy: -590.979
Base-Backbone interact. energy: -0.937
local terms energy: -601.923571
where:
bonds (distance) C4'-P energy: -94.486
bonds (distance) P-C4' energy: -119.013
flat angles C4'-P-C4' energy: -127.140
flat angles P-C4'-P energy: -89.337
tors. eta vs tors. theta energy: -171.948
Dist. restrs. and SS energy: 18.314 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -2683.960759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2683.960759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2690.283789 (E_RNA)
where:
Base-Base interactions energy: -1842.115
where: short stacking energy: -800.761
Base-Backbone interact. energy: 0.196
local terms energy: -848.365302
where:
bonds (distance) C4'-P energy: -165.526
bonds (distance) P-C4' energy: -151.554
flat angles C4'-P-C4' energy: -184.914
flat angles P-C4'-P energy: -101.952
tors. eta vs tors. theta energy: -244.420
Dist. restrs. and SS energy: 6.323 (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: 8
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -2633.402266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2633.402266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2637.366806 (E_RNA)
where:
Base-Base interactions energy: -1825.711
where: short stacking energy: -797.880
Base-Backbone interact. energy: 0.015
local terms energy: -811.671474
where:
bonds (distance) C4'-P energy: -150.153
bonds (distance) P-C4' energy: -144.050
flat angles C4'-P-C4' energy: -166.229
flat angles P-C4'-P energy: -109.922
tors. eta vs tors. theta energy: -241.317
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: 3, replica: 7
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -2538.721279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2538.721279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2545.715672 (E_RNA)
where:
Base-Base interactions energy: -1778.947
where: short stacking energy: -761.415
Base-Backbone interact. energy: -3.509
local terms energy: -763.260308
where:
bonds (distance) C4'-P energy: -144.548
bonds (distance) P-C4' energy: -139.438
flat angles C4'-P-C4' energy: -152.081
flat angles P-C4'-P energy: -102.697
tors. eta vs tors. theta energy: -224.497
Dist. restrs. and SS energy: 6.994 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -2474.781048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2474.781048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2479.999802 (E_RNA)
where:
Base-Base interactions energy: -1736.688
where: short stacking energy: -736.424
Base-Backbone interact. energy: -2.594
local terms energy: -740.718278
where:
bonds (distance) C4'-P energy: -131.989
bonds (distance) P-C4' energy: -124.084
flat angles C4'-P-C4' energy: -162.970
flat angles P-C4'-P energy: -99.448
tors. eta vs tors. theta energy: -222.228
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: 5, replica: 5
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -2400.082234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2400.082234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2409.868031 (E_RNA)
where:
Base-Base interactions energy: -1685.126
where: short stacking energy: -710.821
Base-Backbone interact. energy: -3.570
local terms energy: -721.172765
where:
bonds (distance) C4'-P energy: -116.391
bonds (distance) P-C4' energy: -133.047
flat angles C4'-P-C4' energy: -153.497
flat angles P-C4'-P energy: -99.847
tors. eta vs tors. theta energy: -218.391
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: 6, replica: 9
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -2325.065648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2325.065648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2333.934980 (E_RNA)
where:
Base-Base interactions energy: -1598.228
where: short stacking energy: -675.323
Base-Backbone interact. energy: 2.613
local terms energy: -738.320024
where:
bonds (distance) C4'-P energy: -129.027
bonds (distance) P-C4' energy: -143.078
flat angles C4'-P-C4' energy: -162.010
flat angles P-C4'-P energy: -100.545
tors. eta vs tors. theta energy: -203.660
Dist. restrs. and SS energy: 8.869 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -2206.474837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2206.474837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2214.572545 (E_RNA)
where:
Base-Base interactions energy: -1579.850
where: short stacking energy: -662.092
Base-Backbone interact. energy: -2.935
local terms energy: -631.787234
where:
bonds (distance) C4'-P energy: -122.104
bonds (distance) P-C4' energy: -119.127
flat angles C4'-P-C4' energy: -133.040
flat angles P-C4'-P energy: -75.651
tors. eta vs tors. theta energy: -181.865
Dist. restrs. and SS energy: 8.098 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -2137.726000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2137.726000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2163.429377 (E_RNA)
where:
Base-Base interactions energy: -1517.558
where: short stacking energy: -636.382
Base-Backbone interact. energy: 5.810
local terms energy: -651.681573
where:
bonds (distance) C4'-P energy: -131.067
bonds (distance) P-C4' energy: -108.362
flat angles C4'-P-C4' energy: -137.216
flat angles P-C4'-P energy: -87.358
tors. eta vs tors. theta energy: -187.679
Dist. restrs. and SS energy: 25.703 (S_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: 122
Temperature: 1.300000
Total energy: -2092.891558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2092.891558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2105.011091 (E_RNA)
where:
Base-Base interactions energy: -1484.345
where: short stacking energy: -618.065
Base-Backbone interact. energy: -1.440
local terms energy: -619.226481
where:
bonds (distance) C4'-P energy: -109.142
bonds (distance) P-C4' energy: -125.034
flat angles C4'-P-C4' energy: -119.710
flat angles P-C4'-P energy: -78.987
tors. eta vs tors. theta energy: -186.353
Dist. restrs. and SS energy: 12.120 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -2018.614242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.614242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.039995 (E_RNA)
where:
Base-Base interactions energy: -1402.429
where: short stacking energy: -572.348
Base-Backbone interact. energy: -2.086
local terms energy: -628.524442
where:
bonds (distance) C4'-P energy: -112.952
bonds (distance) P-C4' energy: -131.789
flat angles C4'-P-C4' energy: -116.611
flat angles P-C4'-P energy: -93.458
tors. eta vs tors. theta energy: -173.714
Dist. restrs. and SS energy: 14.426 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -2680.171156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2680.171156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2687.131765 (E_RNA)
where:
Base-Base interactions energy: -1879.915
where: short stacking energy: -819.978
Base-Backbone interact. energy: -1.747
local terms energy: -805.469787
where:
bonds (distance) C4'-P energy: -150.138
bonds (distance) P-C4' energy: -145.782
flat angles C4'-P-C4' energy: -163.110
flat angles P-C4'-P energy: -110.367
tors. eta vs tors. theta energy: -236.074
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: 2, replica: 8
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -2621.999636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2621.999636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2626.468786 (E_RNA)
where:
Base-Base interactions energy: -1825.603
where: short stacking energy: -769.253
Base-Backbone interact. energy: 0.347
local terms energy: -801.213562
where:
bonds (distance) C4'-P energy: -140.632
bonds (distance) P-C4' energy: -143.549
flat angles C4'-P-C4' energy: -166.029
flat angles P-C4'-P energy: -119.171
tors. eta vs tors. theta energy: -231.832
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: 7
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -2541.634118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2541.634118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2555.721614 (E_RNA)
where:
Base-Base interactions energy: -1787.834
where: short stacking energy: -762.990
Base-Backbone interact. energy: -0.301
local terms energy: -767.586715
where:
bonds (distance) C4'-P energy: -118.026
bonds (distance) P-C4' energy: -143.874
flat angles C4'-P-C4' energy: -164.505
flat angles P-C4'-P energy: -108.071
tors. eta vs tors. theta energy: -233.111
Dist. restrs. and SS energy: 14.087 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -2476.380934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2476.380934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2480.422981 (E_RNA)
where:
Base-Base interactions energy: -1741.240
where: short stacking energy: -734.459
Base-Backbone interact. energy: -1.378
local terms energy: -737.805685
where:
bonds (distance) C4'-P energy: -118.465
bonds (distance) P-C4' energy: -136.213
flat angles C4'-P-C4' energy: -168.128
flat angles P-C4'-P energy: -102.178
tors. eta vs tors. theta energy: -212.822
Dist. restrs. and SS energy: 4.042 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -2377.255170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2377.255170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2381.522592 (E_RNA)
where:
Base-Base interactions energy: -1670.151
where: short stacking energy: -707.197
Base-Backbone interact. energy: -3.302
local terms energy: -708.069643
where:
bonds (distance) C4'-P energy: -120.195
bonds (distance) P-C4' energy: -127.116
flat angles C4'-P-C4' energy: -152.372
flat angles P-C4'-P energy: -94.699
tors. eta vs tors. theta energy: -213.688
Dist. restrs. and SS energy: 4.267 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -2324.582311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2324.582311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2332.946912 (E_RNA)
where:
Base-Base interactions energy: -1654.538
where: short stacking energy: -687.654
Base-Backbone interact. energy: 4.627
local terms energy: -683.036316
where:
bonds (distance) C4'-P energy: -106.822
bonds (distance) P-C4' energy: -123.189
flat angles C4'-P-C4' energy: -151.947
flat angles P-C4'-P energy: -97.300
tors. eta vs tors. theta energy: -203.779
Dist. restrs. and SS energy: 8.365 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -2238.343362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2238.343362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2247.983823 (E_RNA)
where:
Base-Base interactions energy: -1617.016
where: short stacking energy: -666.244
Base-Backbone interact. energy: -1.390
local terms energy: -629.577990
where:
bonds (distance) C4'-P energy: -108.633
bonds (distance) P-C4' energy: -115.477
flat angles C4'-P-C4' energy: -128.045
flat angles P-C4'-P energy: -81.459
tors. eta vs tors. theta energy: -195.964
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: 8, replica: 3
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -2157.072031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2157.072031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2178.194808 (E_RNA)
where:
Base-Base interactions energy: -1553.153
where: short stacking energy: -638.019
Base-Backbone interact. energy: -2.598
local terms energy: -622.443531
where:
bonds (distance) C4'-P energy: -101.287
bonds (distance) P-C4' energy: -123.076
flat angles C4'-P-C4' energy: -138.224
flat angles P-C4'-P energy: -89.561
tors. eta vs tors. theta energy: -170.295
Dist. restrs. and SS energy: 21.123 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -2073.260138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2073.260138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2092.912279 (E_RNA)
where:
Base-Base interactions energy: -1496.234
where: short stacking energy: -615.653
Base-Backbone interact. energy: -3.648
local terms energy: -593.030624
where:
bonds (distance) C4'-P energy: -110.939
bonds (distance) P-C4' energy: -91.973
flat angles C4'-P-C4' energy: -133.848
flat angles P-C4'-P energy: -78.438
tors. eta vs tors. theta energy: -177.833
Dist. restrs. and SS energy: 19.652 (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: 1
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -1953.355360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.355360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1969.403356 (E_RNA)
where:
Base-Base interactions energy: -1357.298
where: short stacking energy: -551.892
Base-Backbone interact. energy: -1.612
local terms energy: -610.493006
where:
bonds (distance) C4'-P energy: -124.736
bonds (distance) P-C4' energy: -122.853
flat angles C4'-P-C4' energy: -143.879
flat angles P-C4'-P energy: -54.498
tors. eta vs tors. theta energy: -164.526
Dist. restrs. and SS energy: 16.048 (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: 10
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -2683.061802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2683.061802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2687.595531 (E_RNA)
where:
Base-Base interactions energy: -1878.031
where: short stacking energy: -773.337
Base-Backbone interact. energy: -3.235
local terms energy: -806.329349
where:
bonds (distance) C4'-P energy: -133.545
bonds (distance) P-C4' energy: -147.059
flat angles C4'-P-C4' energy: -175.341
flat angles P-C4'-P energy: -114.387
tors. eta vs tors. theta energy: -235.998
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: 2, replica: 8
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -2643.070799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2643.070799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2647.508579 (E_RNA)
where:
Base-Base interactions energy: -1859.482
where: short stacking energy: -772.688
Base-Backbone interact. energy: -2.390
local terms energy: -785.636356
where:
bonds (distance) C4'-P energy: -151.220
bonds (distance) P-C4' energy: -137.906
flat angles C4'-P-C4' energy: -166.328
flat angles P-C4'-P energy: -92.083
tors. eta vs tors. theta energy: -238.099
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: 7
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -2566.964631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2566.964631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2581.756199 (E_RNA)
where:
Base-Base interactions energy: -1778.942
where: short stacking energy: -753.564
Base-Backbone interact. energy: -3.827
local terms energy: -798.987317
where:
bonds (distance) C4'-P energy: -138.448
bonds (distance) P-C4' energy: -152.113
flat angles C4'-P-C4' energy: -154.676
flat angles P-C4'-P energy: -118.514
tors. eta vs tors. theta energy: -235.236
Dist. restrs. and SS energy: 14.792 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -2495.388659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2495.388659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2498.971145 (E_RNA)
where:
Base-Base interactions energy: -1755.508
where: short stacking energy: -753.824
Base-Backbone interact. energy: -2.558
local terms energy: -740.905608
where:
bonds (distance) C4'-P energy: -119.580
bonds (distance) P-C4' energy: -129.377
flat angles C4'-P-C4' energy: -161.500
flat angles P-C4'-P energy: -107.329
tors. eta vs tors. theta energy: -223.119
Dist. restrs. and SS energy: 3.582 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -2400.077283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2400.077283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2408.119181 (E_RNA)
where:
Base-Base interactions energy: -1686.476
where: short stacking energy: -712.735
Base-Backbone interact. energy: 1.862
local terms energy: -723.505584
where:
bonds (distance) C4'-P energy: -130.819
bonds (distance) P-C4' energy: -133.291
flat angles C4'-P-C4' energy: -143.651
flat angles P-C4'-P energy: -99.612
tors. eta vs tors. theta energy: -216.132
Dist. restrs. and SS energy: 8.042 (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: 9
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -2380.715296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2380.715296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2388.400965 (E_RNA)
where:
Base-Base interactions energy: -1696.474
where: short stacking energy: -715.036
Base-Backbone interact. energy: -1.539
local terms energy: -690.387952
where:
bonds (distance) C4'-P energy: -116.311
bonds (distance) P-C4' energy: -124.837
flat angles C4'-P-C4' energy: -145.731
flat angles P-C4'-P energy: -95.803
tors. eta vs tors. theta energy: -207.707
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: 7, replica: 3
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -2282.921213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2282.921213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2299.248100 (E_RNA)
where:
Base-Base interactions energy: -1615.171
where: short stacking energy: -673.427
Base-Backbone interact. energy: -3.100
local terms energy: -680.976983
where:
bonds (distance) C4'-P energy: -118.909
bonds (distance) P-C4' energy: -127.319
flat angles C4'-P-C4' energy: -141.778
flat angles P-C4'-P energy: -100.401
tors. eta vs tors. theta energy: -192.570
Dist. restrs. and SS energy: 16.327 (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: 6
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -2149.505517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2149.505517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2167.534686 (E_RNA)
where:
Base-Base interactions energy: -1519.706
where: short stacking energy: -612.939
Base-Backbone interact. energy: -3.521
local terms energy: -644.307483
where:
bonds (distance) C4'-P energy: -112.485
bonds (distance) P-C4' energy: -109.823
flat angles C4'-P-C4' energy: -138.209
flat angles P-C4'-P energy: -100.313
tors. eta vs tors. theta energy: -183.477
Dist. restrs. and SS energy: 18.029 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -2010.809087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2010.809087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2030.946342 (E_RNA)
where:
Base-Base interactions energy: -1442.859
where: short stacking energy: -611.236
Base-Backbone interact. energy: 4.466
local terms energy: -592.553700
where:
bonds (distance) C4'-P energy: -85.834
bonds (distance) P-C4' energy: -127.985
flat angles C4'-P-C4' energy: -129.877
flat angles P-C4'-P energy: -70.769
tors. eta vs tors. theta energy: -178.089
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: 10, replica: 4
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -2016.686917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2016.686917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.081909 (E_RNA)
where:
Base-Base interactions energy: -1416.059
where: short stacking energy: -571.960
Base-Backbone interact. energy: -2.612
local terms energy: -614.410718
where:
bonds (distance) C4'-P energy: -115.946
bonds (distance) P-C4' energy: -111.984
flat angles C4'-P-C4' energy: -138.311
flat angles P-C4'-P energy: -78.030
tors. eta vs tors. theta energy: -170.140
Dist. restrs. and SS energy: 16.395 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -2708.701464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2708.701464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2714.277302 (E_RNA)
where:
Base-Base interactions energy: -1886.913
where: short stacking energy: -797.009
Base-Backbone interact. energy: -3.600
local terms energy: -823.764173
where:
bonds (distance) C4'-P energy: -149.595
bonds (distance) P-C4' energy: -160.121
flat angles C4'-P-C4' energy: -166.962
flat angles P-C4'-P energy: -113.599
tors. eta vs tors. theta energy: -233.487
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: 2, replica: 8
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -2638.996988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2638.996988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2642.281880 (E_RNA)
where:
Base-Base interactions energy: -1856.913
where: short stacking energy: -792.285
Base-Backbone interact. energy: -3.707
local terms energy: -781.661436
where:
bonds (distance) C4'-P energy: -138.190
bonds (distance) P-C4' energy: -132.244
flat angles C4'-P-C4' energy: -154.247
flat angles P-C4'-P energy: -122.839
tors. eta vs tors. theta energy: -234.142
Dist. restrs. and SS energy: 3.285 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -2560.368678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2560.368678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2571.116629 (E_RNA)
where:
Base-Base interactions energy: -1771.898
where: short stacking energy: -751.397
Base-Backbone interact. energy: -6.182
local terms energy: -793.036681
where:
bonds (distance) C4'-P energy: -141.878
bonds (distance) P-C4' energy: -133.996
flat angles C4'-P-C4' energy: -169.158
flat angles P-C4'-P energy: -115.163
tors. eta vs tors. theta energy: -232.841
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: 4, replica: 2
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -2462.711788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2462.711788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2469.064720 (E_RNA)
where:
Base-Base interactions energy: -1684.593
where: short stacking energy: -716.725
Base-Backbone interact. energy: -2.072
local terms energy: -782.400528
where:
bonds (distance) C4'-P energy: -136.731
bonds (distance) P-C4' energy: -144.647
flat angles C4'-P-C4' energy: -157.780
flat angles P-C4'-P energy: -109.108
tors. eta vs tors. theta energy: -234.134
Dist. restrs. and SS energy: 6.353 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -2393.909414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2393.909414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2403.329478 (E_RNA)
where:
Base-Base interactions energy: -1666.489
where: short stacking energy: -727.898
Base-Backbone interact. energy: -2.207
local terms energy: -734.632975
where:
bonds (distance) C4'-P energy: -123.789
bonds (distance) P-C4' energy: -129.561
flat angles C4'-P-C4' energy: -158.097
flat angles P-C4'-P energy: -109.104
tors. eta vs tors. theta energy: -214.082
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: 9
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -2342.304507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2342.304507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2348.825243 (E_RNA)
where:
Base-Base interactions energy: -1684.010
where: short stacking energy: -655.934
Base-Backbone interact. energy: -2.875
local terms energy: -661.940305
where:
bonds (distance) C4'-P energy: -110.475
bonds (distance) P-C4' energy: -113.839
flat angles C4'-P-C4' energy: -151.081
flat angles P-C4'-P energy: -82.544
tors. eta vs tors. theta energy: -204.002
Dist. restrs. and SS energy: 6.521 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -2319.480506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2319.480506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2327.106164 (E_RNA)
where:
Base-Base interactions energy: -1622.174
where: short stacking energy: -678.285
Base-Backbone interact. energy: 0.400
local terms energy: -705.332224
where:
bonds (distance) C4'-P energy: -134.437
bonds (distance) P-C4' energy: -137.283
flat angles C4'-P-C4' energy: -142.268
flat angles P-C4'-P energy: -93.984
tors. eta vs tors. theta energy: -197.360
Dist. restrs. and SS energy: 7.626 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -2151.042391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2151.042391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2160.079754 (E_RNA)
where:
Base-Base interactions energy: -1508.564
where: short stacking energy: -624.079
Base-Backbone interact. energy: -3.501
local terms energy: -648.014958
where:
bonds (distance) C4'-P energy: -115.121
bonds (distance) P-C4' energy: -115.158
flat angles C4'-P-C4' energy: -143.063
flat angles P-C4'-P energy: -86.920
tors. eta vs tors. theta energy: -187.752
Dist. restrs. and SS energy: 9.037 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -1982.839879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1982.839879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.422581 (E_RNA)
where:
Base-Base interactions energy: -1382.211
where: short stacking energy: -585.408
Base-Backbone interact. energy: -2.139
local terms energy: -618.072599
where:
bonds (distance) C4'-P energy: -114.186
bonds (distance) P-C4' energy: -110.372
flat angles C4'-P-C4' energy: -129.360
flat angles P-C4'-P energy: -90.056
tors. eta vs tors. theta energy: -174.099
Dist. restrs. and SS energy: 19.583 (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: 4
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -2039.100839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2039.100839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2054.431329 (E_RNA)
where:
Base-Base interactions energy: -1434.514
where: short stacking energy: -598.216
Base-Backbone interact. energy: 1.962
local terms energy: -621.879625
where:
bonds (distance) C4'-P energy: -104.964
bonds (distance) P-C4' energy: -132.027
flat angles C4'-P-C4' energy: -128.822
flat angles P-C4'-P energy: -86.549
tors. eta vs tors. theta energy: -169.516
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: 1, replica: 10
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -2697.514314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2697.514314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2704.550074 (E_RNA)
where:
Base-Base interactions energy: -1858.016
where: short stacking energy: -782.512
Base-Backbone interact. energy: 0.933
local terms energy: -847.466883
where:
bonds (distance) C4'-P energy: -143.634
bonds (distance) P-C4' energy: -167.756
flat angles C4'-P-C4' energy: -180.632
flat angles P-C4'-P energy: -125.895
tors. eta vs tors. theta energy: -229.550
Dist. restrs. and SS energy: 7.036 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -2643.881767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2643.881767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2647.856379 (E_RNA)
where:
Base-Base interactions energy: -1850.767
where: short stacking energy: -775.274
Base-Backbone interact. energy: -2.297
local terms energy: -794.793023
where:
bonds (distance) C4'-P energy: -150.673
bonds (distance) P-C4' energy: -127.653
flat angles C4'-P-C4' energy: -171.300
flat angles P-C4'-P energy: -112.974
tors. eta vs tors. theta energy: -232.192
Dist. restrs. and SS energy: 3.975 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -2558.169521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2558.169521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2569.502984 (E_RNA)
where:
Base-Base interactions energy: -1778.039
where: short stacking energy: -776.292
Base-Backbone interact. energy: -1.775
local terms energy: -789.688890
where:
bonds (distance) C4'-P energy: -141.724
bonds (distance) P-C4' energy: -127.057
flat angles C4'-P-C4' energy: -165.380
flat angles P-C4'-P energy: -114.326
tors. eta vs tors. theta energy: -241.202
Dist. restrs. and SS energy: 11.333 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -2479.322294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2479.322294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2489.186087 (E_RNA)
where:
Base-Base interactions energy: -1749.163
where: short stacking energy: -742.958
Base-Backbone interact. energy: -2.017
local terms energy: -738.006290
where:
bonds (distance) C4'-P energy: -113.848
bonds (distance) P-C4' energy: -130.390
flat angles C4'-P-C4' energy: -157.112
flat angles P-C4'-P energy: -120.990
tors. eta vs tors. theta energy: -215.667
Dist. restrs. and SS energy: 9.864 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -2456.289258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2456.289258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2462.273908 (E_RNA)
where:
Base-Base interactions energy: -1727.396
where: short stacking energy: -722.985
Base-Backbone interact. energy: 1.031
local terms energy: -735.908468
where:
bonds (distance) C4'-P energy: -141.773
bonds (distance) P-C4' energy: -132.872
flat angles C4'-P-C4' energy: -141.031
flat angles P-C4'-P energy: -100.972
tors. eta vs tors. theta energy: -219.260
Dist. restrs. and SS energy: 5.985 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -2283.260635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2283.260635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2291.399266 (E_RNA)
where:
Base-Base interactions energy: -1583.185
where: short stacking energy: -647.967
Base-Backbone interact. energy: -2.788
local terms energy: -705.426660
where:
bonds (distance) C4'-P energy: -138.268
bonds (distance) P-C4' energy: -118.042
flat angles C4'-P-C4' energy: -154.953
flat angles P-C4'-P energy: -93.650
tors. eta vs tors. theta energy: -200.514
Dist. restrs. and SS energy: 8.139 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -2284.826361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2284.826361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2295.857857 (E_RNA)
where:
Base-Base interactions energy: -1629.535
where: short stacking energy: -695.702
Base-Backbone interact. energy: -5.046
local terms energy: -661.277567
where:
bonds (distance) C4'-P energy: -99.044
bonds (distance) P-C4' energy: -115.509
flat angles C4'-P-C4' energy: -151.697
flat angles P-C4'-P energy: -92.468
tors. eta vs tors. theta energy: -202.560
Dist. restrs. and SS energy: 11.031 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -2165.585911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2165.585911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2180.796989 (E_RNA)
where:
Base-Base interactions energy: -1553.232
where: short stacking energy: -648.516
Base-Backbone interact. energy: -1.563
local terms energy: -626.001547
where:
bonds (distance) C4'-P energy: -123.082
bonds (distance) P-C4' energy: -120.788
flat angles C4'-P-C4' energy: -131.420
flat angles P-C4'-P energy: -70.595
tors. eta vs tors. theta energy: -180.116
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: 9, replica: 4
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -2097.152651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2097.152651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2114.127884 (E_RNA)
where:
Base-Base interactions energy: -1473.267
where: short stacking energy: -590.129
Base-Backbone interact. energy: -0.467
local terms energy: -640.393901
where:
bonds (distance) C4'-P energy: -114.264
bonds (distance) P-C4' energy: -116.168
flat angles C4'-P-C4' energy: -135.643
flat angles P-C4'-P energy: -100.299
tors. eta vs tors. theta energy: -174.020
Dist. restrs. and SS energy: 16.975 (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: 1
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -1974.972730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.972730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1992.559300 (E_RNA)
where:
Base-Base interactions energy: -1423.498
where: short stacking energy: -578.618
Base-Backbone interact. energy: -2.023
local terms energy: -567.037986
where:
bonds (distance) C4'-P energy: -100.403
bonds (distance) P-C4' energy: -103.207
flat angles C4'-P-C4' energy: -136.752
flat angles P-C4'-P energy: -66.212
tors. eta vs tors. theta energy: -160.464
Dist. restrs. and SS energy: 17.587 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -2696.506546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2696.506546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2701.200224 (E_RNA)
where:
Base-Base interactions energy: -1869.124
where: short stacking energy: -792.019
Base-Backbone interact. energy: -1.907
local terms energy: -830.169533
where:
bonds (distance) C4'-P energy: -148.247
bonds (distance) P-C4' energy: -160.656
flat angles C4'-P-C4' energy: -173.230
flat angles P-C4'-P energy: -112.744
tors. eta vs tors. theta energy: -235.292
Dist. restrs. and SS energy: 4.694 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -2614.092589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2614.092589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2618.378987 (E_RNA)
where:
Base-Base interactions energy: -1836.478
where: short stacking energy: -793.025
Base-Backbone interact. energy: -2.746
local terms energy: -779.154273
where:
bonds (distance) C4'-P energy: -134.292
bonds (distance) P-C4' energy: -129.677
flat angles C4'-P-C4' energy: -158.157
flat angles P-C4'-P energy: -113.529
tors. eta vs tors. theta energy: -243.500
Dist. restrs. and SS energy: 4.286 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -2530.959335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2530.959335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2544.153455 (E_RNA)
where:
Base-Base interactions energy: -1764.266
where: short stacking energy: -763.098
Base-Backbone interact. energy: -2.783
local terms energy: -777.104406
where:
bonds (distance) C4'-P energy: -131.019
bonds (distance) P-C4' energy: -134.630
flat angles C4'-P-C4' energy: -171.133
flat angles P-C4'-P energy: -111.575
tors. eta vs tors. theta energy: -228.748
Dist. restrs. and SS energy: 13.194 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -2419.929389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2419.929389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2427.428317 (E_RNA)
where:
Base-Base interactions energy: -1686.301
where: short stacking energy: -716.836
Base-Backbone interact. energy: -2.217
local terms energy: -738.909912
where:
bonds (distance) C4'-P energy: -135.479
bonds (distance) P-C4' energy: -119.689
flat angles C4'-P-C4' energy: -162.927
flat angles P-C4'-P energy: -112.331
tors. eta vs tors. theta energy: -208.484
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: 5, replica: 9
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -2421.837241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2421.837241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2429.603625 (E_RNA)
where:
Base-Base interactions energy: -1710.228
where: short stacking energy: -718.957
Base-Backbone interact. energy: -3.382
local terms energy: -715.993649
where:
bonds (distance) C4'-P energy: -138.180
bonds (distance) P-C4' energy: -132.180
flat angles C4'-P-C4' energy: -136.248
flat angles P-C4'-P energy: -95.799
tors. eta vs tors. theta energy: -213.585
Dist. restrs. and SS energy: 7.766 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -2321.394301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2321.394301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2327.799746 (E_RNA)
where:
Base-Base interactions energy: -1648.047
where: short stacking energy: -662.966
Base-Backbone interact. energy: -3.424
local terms energy: -676.329436
where:
bonds (distance) C4'-P energy: -111.155
bonds (distance) P-C4' energy: -126.053
flat angles C4'-P-C4' energy: -150.392
flat angles P-C4'-P energy: -95.417
tors. eta vs tors. theta energy: -193.313
Dist. restrs. and SS energy: 6.405 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -2238.064247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2238.064247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2254.526689 (E_RNA)
where:
Base-Base interactions energy: -1574.098
where: short stacking energy: -660.384
Base-Backbone interact. energy: -1.186
local terms energy: -679.242832
where:
bonds (distance) C4'-P energy: -129.057
bonds (distance) P-C4' energy: -132.198
flat angles C4'-P-C4' energy: -148.005
flat angles P-C4'-P energy: -86.469
tors. eta vs tors. theta energy: -183.514
Dist. restrs. and SS energy: 16.462 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -2193.749371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2193.749371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2210.058371 (E_RNA)
where:
Base-Base interactions energy: -1551.474
where: short stacking energy: -649.109
Base-Backbone interact. energy: -1.527
local terms energy: -657.056741
where:
bonds (distance) C4'-P energy: -124.077
bonds (distance) P-C4' energy: -101.634
flat angles C4'-P-C4' energy: -139.352
flat angles P-C4'-P energy: -100.262
tors. eta vs tors. theta energy: -191.731
Dist. restrs. and SS energy: 16.309 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -2130.571125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2130.571125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2136.950189 (E_RNA)
where:
Base-Base interactions energy: -1522.370
where: short stacking energy: -624.621
Base-Backbone interact. energy: -1.124
local terms energy: -613.456330
where:
bonds (distance) C4'-P energy: -101.234
bonds (distance) P-C4' energy: -119.773
flat angles C4'-P-C4' energy: -129.981
flat angles P-C4'-P energy: -71.797
tors. eta vs tors. theta energy: -190.672
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: 10, replica: 1
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -1933.324245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.324245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1955.029139 (E_RNA)
where:
Base-Base interactions energy: -1389.334
where: short stacking energy: -588.739
Base-Backbone interact. energy: -1.822
local terms energy: -563.873447
where:
bonds (distance) C4'-P energy: -93.459
bonds (distance) P-C4' energy: -113.610
flat angles C4'-P-C4' energy: -116.860
flat angles P-C4'-P energy: -78.732
tors. eta vs tors. theta energy: -161.212
Dist. restrs. and SS energy: 21.705 (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: 10
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -2702.686154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2702.686154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2709.510462 (E_RNA)
where:
Base-Base interactions energy: -1903.486
where: short stacking energy: -820.227
Base-Backbone interact. energy: -2.072
local terms energy: -803.952443
where:
bonds (distance) C4'-P energy: -143.465
bonds (distance) P-C4' energy: -145.816
flat angles C4'-P-C4' energy: -167.302
flat angles P-C4'-P energy: -114.033
tors. eta vs tors. theta energy: -233.336
Dist. restrs. and SS energy: 6.824 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -2618.856902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2618.856902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2626.870836 (E_RNA)
where:
Base-Base interactions energy: -1836.668
where: short stacking energy: -767.208
Base-Backbone interact. energy: -1.022
local terms energy: -789.181267
where:
bonds (distance) C4'-P energy: -144.086
bonds (distance) P-C4' energy: -135.953
flat angles C4'-P-C4' energy: -156.076
flat angles P-C4'-P energy: -118.190
tors. eta vs tors. theta energy: -234.877
Dist. restrs. and SS energy: 8.014 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -2543.117843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2543.117843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2550.013974 (E_RNA)
where:
Base-Base interactions energy: -1789.347
where: short stacking energy: -730.167
Base-Backbone interact. energy: 1.173
local terms energy: -761.839939
where:
bonds (distance) C4'-P energy: -135.224
bonds (distance) P-C4' energy: -146.641
flat angles C4'-P-C4' energy: -153.767
flat angles P-C4'-P energy: -112.408
tors. eta vs tors. theta energy: -213.800
Dist. restrs. and SS energy: 6.896 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -2438.227639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2438.227639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2445.116556 (E_RNA)
where:
Base-Base interactions energy: -1697.272
where: short stacking energy: -713.920
Base-Backbone interact. energy: -1.706
local terms energy: -746.138627
where:
bonds (distance) C4'-P energy: -126.784
bonds (distance) P-C4' energy: -160.715
flat angles C4'-P-C4' energy: -145.380
flat angles P-C4'-P energy: -105.751
tors. eta vs tors. theta energy: -207.509
Dist. restrs. and SS energy: 6.889 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -2422.303343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2422.303343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2430.401598 (E_RNA)
where:
Base-Base interactions energy: -1683.310
where: short stacking energy: -731.562
Base-Backbone interact. energy: -2.218
local terms energy: -744.873894
where:
bonds (distance) C4'-P energy: -136.335
bonds (distance) P-C4' energy: -137.893
flat angles C4'-P-C4' energy: -149.252
flat angles P-C4'-P energy: -98.488
tors. eta vs tors. theta energy: -222.906
Dist. restrs. and SS energy: 8.098 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -2339.803335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2339.803335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2347.602542 (E_RNA)
where:
Base-Base interactions energy: -1639.177
where: short stacking energy: -670.363
Base-Backbone interact. energy: -0.420
local terms energy: -708.005386
where:
bonds (distance) C4'-P energy: -134.119
bonds (distance) P-C4' energy: -116.963
flat angles C4'-P-C4' energy: -145.384
flat angles P-C4'-P energy: -104.740
tors. eta vs tors. theta energy: -206.799
Dist. restrs. and SS energy: 7.799 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -2266.597037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2266.597037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2274.794376 (E_RNA)
where:
Base-Base interactions energy: -1596.133
where: short stacking energy: -660.892
Base-Backbone interact. energy: -0.139
local terms energy: -678.522590
where:
bonds (distance) C4'-P energy: -112.633
bonds (distance) P-C4' energy: -132.443
flat angles C4'-P-C4' energy: -144.419
flat angles P-C4'-P energy: -94.204
tors. eta vs tors. theta energy: -194.824
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: 6
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -2185.854969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2185.854969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2200.170162 (E_RNA)
where:
Base-Base interactions energy: -1548.315
where: short stacking energy: -656.897
Base-Backbone interact. energy: -3.361
local terms energy: -648.494391
where:
bonds (distance) C4'-P energy: -121.998
bonds (distance) P-C4' energy: -118.381
flat angles C4'-P-C4' energy: -145.941
flat angles P-C4'-P energy: -73.606
tors. eta vs tors. theta energy: -188.568
Dist. restrs. and SS energy: 14.315 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -2179.654641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2179.654641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2189.938726 (E_RNA)
where:
Base-Base interactions energy: -1526.521
where: short stacking energy: -635.235
Base-Backbone interact. energy: -3.469
local terms energy: -659.948935
where:
bonds (distance) C4'-P energy: -115.479
bonds (distance) P-C4' energy: -122.439
flat angles C4'-P-C4' energy: -136.217
flat angles P-C4'-P energy: -89.135
tors. eta vs tors. theta energy: -196.679
Dist. restrs. and SS energy: 10.284 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -1867.702483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.702483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.099015 (E_RNA)
where:
Base-Base interactions energy: -1338.404
where: short stacking energy: -541.937
Base-Backbone interact. energy: 2.659
local terms energy: -560.353301
where:
bonds (distance) C4'-P energy: -103.243
bonds (distance) P-C4' energy: -102.856
flat angles C4'-P-C4' energy: -119.030
flat angles P-C4'-P energy: -66.278
tors. eta vs tors. theta energy: -168.947
Dist. restrs. and SS energy: 28.397 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -2707.499882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2707.499882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2713.719150 (E_RNA)
where:
Base-Base interactions energy: -1904.915
where: short stacking energy: -789.214
Base-Backbone interact. energy: -1.913
local terms energy: -806.890746
where:
bonds (distance) C4'-P energy: -119.421
bonds (distance) P-C4' energy: -156.998
flat angles C4'-P-C4' energy: -171.727
flat angles P-C4'-P energy: -118.009
tors. eta vs tors. theta energy: -240.735
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: 2, replica: 8
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -2619.356138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2619.356138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2623.499884 (E_RNA)
where:
Base-Base interactions energy: -1829.305
where: short stacking energy: -789.174
Base-Backbone interact. energy: -1.881
local terms energy: -792.313992
where:
bonds (distance) C4'-P energy: -135.254
bonds (distance) P-C4' energy: -135.141
flat angles C4'-P-C4' energy: -173.338
flat angles P-C4'-P energy: -113.981
tors. eta vs tors. theta energy: -234.600
Dist. restrs. and SS energy: 4.144 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -2528.581236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2528.581236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2539.448647 (E_RNA)
where:
Base-Base interactions energy: -1786.248
where: short stacking energy: -742.630
Base-Backbone interact. energy: -2.624
local terms energy: -750.576552
where:
bonds (distance) C4'-P energy: -135.860
bonds (distance) P-C4' energy: -130.723
flat angles C4'-P-C4' energy: -168.774
flat angles P-C4'-P energy: -98.981
tors. eta vs tors. theta energy: -216.239
Dist. restrs. and SS energy: 10.867 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -2477.821863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2477.821863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2492.241316 (E_RNA)
where:
Base-Base interactions energy: -1716.938
where: short stacking energy: -742.066
Base-Backbone interact. energy: -1.930
local terms energy: -773.373228
where:
bonds (distance) C4'-P energy: -132.002
bonds (distance) P-C4' energy: -149.178
flat angles C4'-P-C4' energy: -156.331
flat angles P-C4'-P energy: -109.843
tors. eta vs tors. theta energy: -226.019
Dist. restrs. and SS energy: 14.419 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -2397.620385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2397.620385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2405.386601 (E_RNA)
where:
Base-Base interactions energy: -1679.036
where: short stacking energy: -679.564
Base-Backbone interact. energy: -5.671
local terms energy: -720.679888
where:
bonds (distance) C4'-P energy: -121.318
bonds (distance) P-C4' energy: -145.590
flat angles C4'-P-C4' energy: -143.959
flat angles P-C4'-P energy: -98.498
tors. eta vs tors. theta energy: -211.315
Dist. restrs. and SS energy: 7.766 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -2306.610451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2306.610451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2314.575419 (E_RNA)
where:
Base-Base interactions energy: -1626.370
where: short stacking energy: -669.542
Base-Backbone interact. energy: -3.455
local terms energy: -684.750870
where:
bonds (distance) C4'-P energy: -110.664
bonds (distance) P-C4' energy: -120.118
flat angles C4'-P-C4' energy: -164.395
flat angles P-C4'-P energy: -91.599
tors. eta vs tors. theta energy: -197.974
Dist. restrs. and SS energy: 7.965 (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: 3
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -2304.615042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2304.615042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2318.845018 (E_RNA)
where:
Base-Base interactions energy: -1623.874
where: short stacking energy: -687.190
Base-Backbone interact. energy: -2.667
local terms energy: -692.304088
where:
bonds (distance) C4'-P energy: -121.923
bonds (distance) P-C4' energy: -119.297
flat angles C4'-P-C4' energy: -154.538
flat angles P-C4'-P energy: -98.909
tors. eta vs tors. theta energy: -197.637
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: 8, replica: 4
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -2163.997383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2163.997383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2177.181313 (E_RNA)
where:
Base-Base interactions energy: -1515.172
where: short stacking energy: -633.534
Base-Backbone interact. energy: -1.256
local terms energy: -660.753890
where:
bonds (distance) C4'-P energy: -110.829
bonds (distance) P-C4' energy: -116.478
flat angles C4'-P-C4' energy: -145.161
flat angles P-C4'-P energy: -91.882
tors. eta vs tors. theta energy: -196.404
Dist. restrs. and SS energy: 13.184 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -2055.002230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2055.002230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.708781 (E_RNA)
where:
Base-Base interactions energy: -1461.232
where: short stacking energy: -621.918
Base-Backbone interact. energy: -2.712
local terms energy: -607.764421
where:
bonds (distance) C4'-P energy: -108.898
bonds (distance) P-C4' energy: -118.774
flat angles C4'-P-C4' energy: -137.868
flat angles P-C4'-P energy: -67.066
tors. eta vs tors. theta energy: -175.159
Dist. restrs. and SS energy: 16.707 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -1862.894461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1862.894461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.411694 (E_RNA)
where:
Base-Base interactions energy: -1336.570
where: short stacking energy: -539.328
Base-Backbone interact. energy: -1.900
local terms energy: -551.942160
where:
bonds (distance) C4'-P energy: -108.682
bonds (distance) P-C4' energy: -111.539
flat angles C4'-P-C4' energy: -125.114
flat angles P-C4'-P energy: -77.014
tors. eta vs tors. theta energy: -129.593
Dist. restrs. and SS energy: 27.517 (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: 10
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -2700.982467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2700.982467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2707.337098 (E_RNA)
where:
Base-Base interactions energy: -1875.200
where: short stacking energy: -802.969
Base-Backbone interact. energy: -3.607
local terms energy: -828.529804
where:
bonds (distance) C4'-P energy: -149.487
bonds (distance) P-C4' energy: -154.016
flat angles C4'-P-C4' energy: -167.361
flat angles P-C4'-P energy: -113.205
tors. eta vs tors. theta energy: -244.461
Dist. restrs. and SS energy: 6.355 (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: 8
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -2656.364617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2656.364617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2665.628278 (E_RNA)
where:
Base-Base interactions energy: -1856.692
where: short stacking energy: -815.417
Base-Backbone interact. energy: -3.347
local terms energy: -805.589498
where:
bonds (distance) C4'-P energy: -140.870
bonds (distance) P-C4' energy: -145.627
flat angles C4'-P-C4' energy: -168.638
flat angles P-C4'-P energy: -114.599
tors. eta vs tors. theta energy: -235.855
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: 3, replica: 7
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -2566.223898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2566.223898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2579.363161 (E_RNA)
where:
Base-Base interactions energy: -1827.663
where: short stacking energy: -767.157
Base-Backbone interact. energy: -2.799
local terms energy: -748.901989
where:
bonds (distance) C4'-P energy: -134.882
bonds (distance) P-C4' energy: -129.565
flat angles C4'-P-C4' energy: -156.071
flat angles P-C4'-P energy: -104.764
tors. eta vs tors. theta energy: -223.621
Dist. restrs. and SS energy: 13.139 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -2481.610077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2481.610077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2492.299087 (E_RNA)
where:
Base-Base interactions energy: -1743.771
where: short stacking energy: -736.321
Base-Backbone interact. energy: -0.887
local terms energy: -747.641130
where:
bonds (distance) C4'-P energy: -128.729
bonds (distance) P-C4' energy: -144.014
flat angles C4'-P-C4' energy: -157.998
flat angles P-C4'-P energy: -110.433
tors. eta vs tors. theta energy: -206.467
Dist. restrs. and SS energy: 10.689 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -2410.204477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2410.204477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2419.453842 (E_RNA)
where:
Base-Base interactions energy: -1725.808
where: short stacking energy: -718.244
Base-Backbone interact. energy: -3.422
local terms energy: -690.223473
where:
bonds (distance) C4'-P energy: -135.107
bonds (distance) P-C4' energy: -119.961
flat angles C4'-P-C4' energy: -140.001
flat angles P-C4'-P energy: -95.884
tors. eta vs tors. theta energy: -199.271
Dist. restrs. and SS energy: 9.249 (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: 5
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -2321.839343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2321.839343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2329.296846 (E_RNA)
where:
Base-Base interactions energy: -1634.833
where: short stacking energy: -676.969
Base-Backbone interact. energy: -2.951
local terms energy: -691.512985
where:
bonds (distance) C4'-P energy: -133.519
bonds (distance) P-C4' energy: -127.131
flat angles C4'-P-C4' energy: -150.530
flat angles P-C4'-P energy: -90.144
tors. eta vs tors. theta energy: -190.188
Dist. restrs. and SS energy: 7.458 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -2312.981887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2312.981887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2319.754841 (E_RNA)
where:
Base-Base interactions energy: -1633.527
where: short stacking energy: -661.523
Base-Backbone interact. energy: -3.337
local terms energy: -682.890531
where:
bonds (distance) C4'-P energy: -95.976
bonds (distance) P-C4' energy: -140.985
flat angles C4'-P-C4' energy: -143.279
flat angles P-C4'-P energy: -92.454
tors. eta vs tors. theta energy: -210.196
Dist. restrs. and SS energy: 6.773 (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: 4
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -2197.005621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2197.005621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2214.147721 (E_RNA)
where:
Base-Base interactions energy: -1548.145
where: short stacking energy: -664.958
Base-Backbone interact. energy: -2.398
local terms energy: -663.604460
where:
bonds (distance) C4'-P energy: -133.159
bonds (distance) P-C4' energy: -99.847
flat angles C4'-P-C4' energy: -142.217
flat angles P-C4'-P energy: -94.788
tors. eta vs tors. theta energy: -193.594
Dist. restrs. and SS energy: 17.142 (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: 6
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -2083.519659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2083.519659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.856185 (E_RNA)
where:
Base-Base interactions energy: -1439.836
where: short stacking energy: -581.749
Base-Backbone interact. energy: -2.194
local terms energy: -656.826570
where:
bonds (distance) C4'-P energy: -126.977
bonds (distance) P-C4' energy: -116.660
flat angles C4'-P-C4' energy: -143.537
flat angles P-C4'-P energy: -89.135
tors. eta vs tors. theta energy: -180.518
Dist. restrs. and SS energy: 15.337 (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: 1
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -1898.035685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1898.035685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1921.967112 (E_RNA)
where:
Base-Base interactions energy: -1356.502
where: short stacking energy: -536.641
Base-Backbone interact. energy: 0.863
local terms energy: -566.328741
where:
bonds (distance) C4'-P energy: -107.772
bonds (distance) P-C4' energy: -115.960
flat angles C4'-P-C4' energy: -109.931
flat angles P-C4'-P energy: -88.361
tors. eta vs tors. theta energy: -144.304
Dist. restrs. and SS energy: 23.931 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -2709.550806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2709.550806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2717.656636 (E_RNA)
where:
Base-Base interactions energy: -1872.625
where: short stacking energy: -827.681
Base-Backbone interact. energy: -5.235
local terms energy: -839.796640
where:
bonds (distance) C4'-P energy: -148.873
bonds (distance) P-C4' energy: -147.445
flat angles C4'-P-C4' energy: -171.036
flat angles P-C4'-P energy: -120.983
tors. eta vs tors. theta energy: -251.460
Dist. restrs. and SS energy: 8.106 (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: 7
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -2620.698101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2620.698101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2628.659754 (E_RNA)
where:
Base-Base interactions energy: -1854.574
where: short stacking energy: -771.831
Base-Backbone interact. energy: -6.201
local terms energy: -767.884483
where:
bonds (distance) C4'-P energy: -127.817
bonds (distance) P-C4' energy: -142.750
flat angles C4'-P-C4' energy: -172.709
flat angles P-C4'-P energy: -107.337
tors. eta vs tors. theta energy: -217.271
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: 3, replica: 8
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -2624.612185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2624.612185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2632.419053 (E_RNA)
where:
Base-Base interactions energy: -1815.482
where: short stacking energy: -770.752
Base-Backbone interact. energy: -1.910
local terms energy: -815.026919
where:
bonds (distance) C4'-P energy: -144.578
bonds (distance) P-C4' energy: -139.141
flat angles C4'-P-C4' energy: -175.286
flat angles P-C4'-P energy: -114.661
tors. eta vs tors. theta energy: -241.361
Dist. restrs. and SS energy: 7.807 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -2466.051824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2466.051824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2469.660841 (E_RNA)
where:
Base-Base interactions energy: -1739.435
where: short stacking energy: -733.205
Base-Backbone interact. energy: 4.367
local terms energy: -734.593533
where:
bonds (distance) C4'-P energy: -131.617
bonds (distance) P-C4' energy: -130.188
flat angles C4'-P-C4' energy: -150.425
flat angles P-C4'-P energy: -105.888
tors. eta vs tors. theta energy: -216.475
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: 5, replica: 9
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -2367.486199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2367.486199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2375.507425 (E_RNA)
where:
Base-Base interactions energy: -1660.957
where: short stacking energy: -678.803
Base-Backbone interact. energy: -3.166
local terms energy: -711.383940
where:
bonds (distance) C4'-P energy: -124.751
bonds (distance) P-C4' energy: -129.316
flat angles C4'-P-C4' energy: -149.700
flat angles P-C4'-P energy: -100.902
tors. eta vs tors. theta energy: -206.715
Dist. restrs. and SS energy: 8.021 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -2308.617865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2308.617865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2318.952277 (E_RNA)
where:
Base-Base interactions energy: -1617.897
where: short stacking energy: -678.533
Base-Backbone interact. energy: -3.177
local terms energy: -697.878495
where:
bonds (distance) C4'-P energy: -122.528
bonds (distance) P-C4' energy: -122.813
flat angles C4'-P-C4' energy: -147.020
flat angles P-C4'-P energy: -101.929
tors. eta vs tors. theta energy: -203.588
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: 3
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -2298.319419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2298.319419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2309.282945 (E_RNA)
where:
Base-Base interactions energy: -1638.132
where: short stacking energy: -696.267
Base-Backbone interact. energy: 0.475
local terms energy: -671.625680
where:
bonds (distance) C4'-P energy: -104.212
bonds (distance) P-C4' energy: -111.961
flat angles C4'-P-C4' energy: -146.505
flat angles P-C4'-P energy: -98.454
tors. eta vs tors. theta energy: -210.495
Dist. restrs. and SS energy: 10.964 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -2226.567056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2226.567056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2234.183084 (E_RNA)
where:
Base-Base interactions energy: -1589.455
where: short stacking energy: -638.863
Base-Backbone interact. energy: -1.979
local terms energy: -642.749155
where:
bonds (distance) C4'-P energy: -108.909
bonds (distance) P-C4' energy: -117.261
flat angles C4'-P-C4' energy: -128.925
flat angles P-C4'-P energy: -88.841
tors. eta vs tors. theta energy: -198.812
Dist. restrs. and SS energy: 7.616 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -2014.198812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2014.198812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2031.165208 (E_RNA)
where:
Base-Base interactions energy: -1406.377
where: short stacking energy: -598.181
Base-Backbone interact. energy: -0.064
local terms energy: -624.724190
where:
bonds (distance) C4'-P energy: -123.382
bonds (distance) P-C4' energy: -106.167
flat angles C4'-P-C4' energy: -135.035
flat angles P-C4'-P energy: -83.759
tors. eta vs tors. theta energy: -176.380
Dist. restrs. and SS energy: 16.966 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -1946.244977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.244977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1981.701489 (E_RNA)
where:
Base-Base interactions energy: -1370.966
where: short stacking energy: -562.857
Base-Backbone interact. energy: 0.799
local terms energy: -611.534312
where:
bonds (distance) C4'-P energy: -105.582
bonds (distance) P-C4' energy: -132.298
flat angles C4'-P-C4' energy: -128.210
flat angles P-C4'-P energy: -98.201
tors. eta vs tors. theta energy: -147.243
Dist. restrs. and SS energy: 35.457 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -2701.527601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2701.527601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2707.300700 (E_RNA)
where:
Base-Base interactions energy: -1863.738
where: short stacking energy: -825.101
Base-Backbone interact. energy: -1.908
local terms energy: -841.655128
where:
bonds (distance) C4'-P energy: -149.991
bonds (distance) P-C4' energy: -145.021
flat angles C4'-P-C4' energy: -177.246
flat angles P-C4'-P energy: -119.288
tors. eta vs tors. theta energy: -250.109
Dist. restrs. and SS energy: 5.773 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -2601.845731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2601.845731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2611.856861 (E_RNA)
where:
Base-Base interactions energy: -1822.187
where: short stacking energy: -758.313
Base-Backbone interact. energy: -3.892
local terms energy: -785.777833
where:
bonds (distance) C4'-P energy: -137.231
bonds (distance) P-C4' energy: -146.629
flat angles C4'-P-C4' energy: -168.851
flat angles P-C4'-P energy: -112.516
tors. eta vs tors. theta energy: -220.551
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: 3, replica: 8
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -2595.703012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2595.703012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2599.689994 (E_RNA)
where:
Base-Base interactions energy: -1835.046
where: short stacking energy: -760.186
Base-Backbone interact. energy: -3.007
local terms energy: -761.636652
where:
bonds (distance) C4'-P energy: -131.385
bonds (distance) P-C4' energy: -139.915
flat angles C4'-P-C4' energy: -152.218
flat angles P-C4'-P energy: -115.000
tors. eta vs tors. theta energy: -223.119
Dist. restrs. and SS energy: 3.987 (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: 2
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -2460.278665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2460.278665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2467.397696 (E_RNA)
where:
Base-Base interactions energy: -1729.282
where: short stacking energy: -719.036
Base-Backbone interact. energy: 1.173
local terms energy: -739.288842
where:
bonds (distance) C4'-P energy: -122.137
bonds (distance) P-C4' energy: -135.862
flat angles C4'-P-C4' energy: -161.472
flat angles P-C4'-P energy: -103.066
tors. eta vs tors. theta energy: -216.752
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: 5, replica: 5
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -2383.986419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2383.986419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2396.291414 (E_RNA)
where:
Base-Base interactions energy: -1663.558
where: short stacking energy: -668.612
Base-Backbone interact. energy: -1.990
local terms energy: -730.743353
where:
bonds (distance) C4'-P energy: -131.284
bonds (distance) P-C4' energy: -141.922
flat angles C4'-P-C4' energy: -145.720
flat angles P-C4'-P energy: -103.272
tors. eta vs tors. theta energy: -208.545
Dist. restrs. and SS energy: 12.305 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -2325.304165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2325.304165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2336.520557 (E_RNA)
where:
Base-Base interactions energy: -1640.460
where: short stacking energy: -682.582
Base-Backbone interact. energy: -0.013
local terms energy: -696.047733
where:
bonds (distance) C4'-P energy: -139.679
bonds (distance) P-C4' energy: -113.309
flat angles C4'-P-C4' energy: -152.543
flat angles P-C4'-P energy: -91.188
tors. eta vs tors. theta energy: -199.329
Dist. restrs. and SS energy: 11.216 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -2278.143250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2278.143250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2291.062506 (E_RNA)
where:
Base-Base interactions energy: -1624.697
where: short stacking energy: -671.849
Base-Backbone interact. energy: 2.876
local terms energy: -669.241752
where:
bonds (distance) C4'-P energy: -128.500
bonds (distance) P-C4' energy: -118.274
flat angles C4'-P-C4' energy: -138.576
flat angles P-C4'-P energy: -96.787
tors. eta vs tors. theta energy: -187.104
Dist. restrs. and SS energy: 12.919 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -2252.913288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2252.913288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2267.223026 (E_RNA)
where:
Base-Base interactions energy: -1616.432
where: short stacking energy: -680.166
Base-Backbone interact. energy: -1.309
local terms energy: -649.482570
where:
bonds (distance) C4'-P energy: -109.238
bonds (distance) P-C4' energy: -130.359
flat angles C4'-P-C4' energy: -128.860
flat angles P-C4'-P energy: -88.342
tors. eta vs tors. theta energy: -192.683
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: 9, replica: 6
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -2037.267074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2037.267074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2055.814861 (E_RNA)
where:
Base-Base interactions energy: -1425.319
where: short stacking energy: -556.537
Base-Backbone interact. energy: 0.762
local terms energy: -631.257194
where:
bonds (distance) C4'-P energy: -122.051
bonds (distance) P-C4' energy: -129.359
flat angles C4'-P-C4' energy: -136.794
flat angles P-C4'-P energy: -83.829
tors. eta vs tors. theta energy: -159.224
Dist. restrs. and SS energy: 18.548 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -1916.079284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.079284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.695026 (E_RNA)
where:
Base-Base interactions energy: -1375.591
where: short stacking energy: -575.161
Base-Backbone interact. energy: 0.941
local terms energy: -558.045120
where:
bonds (distance) C4'-P energy: -98.667
bonds (distance) P-C4' energy: -120.725
flat angles C4'-P-C4' energy: -129.275
flat angles P-C4'-P energy: -63.233
tors. eta vs tors. theta energy: -146.145
Dist. restrs. and SS energy: 16.616 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -2679.802360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2679.802360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2686.842067 (E_RNA)
where:
Base-Base interactions energy: -1885.568
where: short stacking energy: -816.488
Base-Backbone interact. energy: -2.213
local terms energy: -799.060921
where:
bonds (distance) C4'-P energy: -135.922
bonds (distance) P-C4' energy: -137.840
flat angles C4'-P-C4' energy: -175.959
flat angles P-C4'-P energy: -103.214
tors. eta vs tors. theta energy: -246.127
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: 2, replica: 8
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -2628.068548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2628.068548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2637.707722 (E_RNA)
where:
Base-Base interactions energy: -1858.166
where: short stacking energy: -779.457
Base-Backbone interact. energy: -2.468
local terms energy: -777.074320
where:
bonds (distance) C4'-P energy: -136.850
bonds (distance) P-C4' energy: -135.157
flat angles C4'-P-C4' energy: -163.401
flat angles P-C4'-P energy: -117.351
tors. eta vs tors. theta energy: -224.314
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: 3, replica: 7
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -2574.545359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2574.545359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2583.254952 (E_RNA)
where:
Base-Base interactions energy: -1811.488
where: short stacking energy: -745.081
Base-Backbone interact. energy: -4.959
local terms energy: -766.807701
where:
bonds (distance) C4'-P energy: -133.538
bonds (distance) P-C4' energy: -132.906
flat angles C4'-P-C4' energy: -166.309
flat angles P-C4'-P energy: -103.736
tors. eta vs tors. theta energy: -230.318
Dist. restrs. and SS energy: 8.710 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -2437.958686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2437.958686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2444.260819 (E_RNA)
where:
Base-Base interactions energy: -1722.148
where: short stacking energy: -717.836
Base-Backbone interact. energy: 1.038
local terms energy: -723.150767
where:
bonds (distance) C4'-P energy: -126.525
bonds (distance) P-C4' energy: -121.614
flat angles C4'-P-C4' energy: -157.676
flat angles P-C4'-P energy: -102.457
tors. eta vs tors. theta energy: -214.880
Dist. restrs. and SS energy: 6.302 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -2430.918800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2430.918800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2438.594961 (E_RNA)
where:
Base-Base interactions energy: -1718.901
where: short stacking energy: -735.695
Base-Backbone interact. energy: 0.543
local terms energy: -720.236996
where:
bonds (distance) C4'-P energy: -144.553
bonds (distance) P-C4' energy: -113.741
flat angles C4'-P-C4' energy: -162.698
flat angles P-C4'-P energy: -94.897
tors. eta vs tors. theta energy: -204.349
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: 6, replica: 9
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -2359.842359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2359.842359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2370.724520 (E_RNA)
where:
Base-Base interactions energy: -1644.648
where: short stacking energy: -703.941
Base-Backbone interact. energy: 3.770
local terms energy: -729.846746
where:
bonds (distance) C4'-P energy: -131.692
bonds (distance) P-C4' energy: -127.720
flat angles C4'-P-C4' energy: -159.138
flat angles P-C4'-P energy: -107.531
tors. eta vs tors. theta energy: -203.766
Dist. restrs. and SS energy: 10.882 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -2269.157360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2269.157360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2281.305801 (E_RNA)
where:
Base-Base interactions energy: -1613.825
where: short stacking energy: -683.903
Base-Backbone interact. energy: -3.134
local terms energy: -664.346848
where:
bonds (distance) C4'-P energy: -126.483
bonds (distance) P-C4' energy: -115.869
flat angles C4'-P-C4' energy: -144.944
flat angles P-C4'-P energy: -75.455
tors. eta vs tors. theta energy: -201.596
Dist. restrs. and SS energy: 12.148 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -2232.172329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2232.172329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2241.270564 (E_RNA)
where:
Base-Base interactions energy: -1570.039
where: short stacking energy: -643.400
Base-Backbone interact. energy: -1.919
local terms energy: -669.312399
where:
bonds (distance) C4'-P energy: -129.153
bonds (distance) P-C4' energy: -111.771
flat angles C4'-P-C4' energy: -143.234
flat angles P-C4'-P energy: -94.681
tors. eta vs tors. theta energy: -190.473
Dist. restrs. and SS energy: 9.098 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -2086.926540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2086.926540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2097.758417 (E_RNA)
where:
Base-Base interactions energy: -1478.163
where: short stacking energy: -623.041
Base-Backbone interact. energy: 0.640
local terms energy: -620.235304
where:
bonds (distance) C4'-P energy: -109.949
bonds (distance) P-C4' energy: -112.195
flat angles C4'-P-C4' energy: -145.242
flat angles P-C4'-P energy: -78.908
tors. eta vs tors. theta energy: -173.941
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: 10, replica: 1
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -1959.414596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.414596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1974.928636 (E_RNA)
where:
Base-Base interactions energy: -1356.568
where: short stacking energy: -542.930
Base-Backbone interact. energy: 1.504
local terms energy: -619.863853
where:
bonds (distance) C4'-P energy: -103.081
bonds (distance) P-C4' energy: -137.950
flat angles C4'-P-C4' energy: -134.489
flat angles P-C4'-P energy: -82.958
tors. eta vs tors. theta energy: -161.386
Dist. restrs. and SS energy: 15.514 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -2683.716774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2683.716774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2690.490179 (E_RNA)
where:
Base-Base interactions energy: -1881.435
where: short stacking energy: -808.990
Base-Backbone interact. energy: -0.828
local terms energy: -808.227185
where:
bonds (distance) C4'-P energy: -144.351
bonds (distance) P-C4' energy: -142.960
flat angles C4'-P-C4' energy: -161.337
flat angles P-C4'-P energy: -113.118
tors. eta vs tors. theta energy: -246.462
Dist. restrs. and SS energy: 6.773 (S_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: 134
Temperature: 0.950000
Total energy: -2644.188498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2644.188498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2648.915370 (E_RNA)
where:
Base-Base interactions energy: -1856.631
where: short stacking energy: -758.136
Base-Backbone interact. energy: 1.481
local terms energy: -793.765113
where:
bonds (distance) C4'-P energy: -152.076
bonds (distance) P-C4' energy: -146.754
flat angles C4'-P-C4' energy: -152.217
flat angles P-C4'-P energy: -116.465
tors. eta vs tors. theta energy: -226.252
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: 3, replica: 7
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -2553.396145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2553.396145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2568.430927 (E_RNA)
where:
Base-Base interactions energy: -1793.238
where: short stacking energy: -759.910
Base-Backbone interact. energy: -4.774
local terms energy: -770.418632
where:
bonds (distance) C4'-P energy: -120.109
bonds (distance) P-C4' energy: -140.653
flat angles C4'-P-C4' energy: -149.171
flat angles P-C4'-P energy: -127.917
tors. eta vs tors. theta energy: -232.569
Dist. restrs. and SS energy: 15.035 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -2441.013346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2441.013346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2449.470627 (E_RNA)
where:
Base-Base interactions energy: -1712.130
where: short stacking energy: -747.923
Base-Backbone interact. energy: -1.821
local terms energy: -735.519324
where:
bonds (distance) C4'-P energy: -115.502
bonds (distance) P-C4' energy: -148.163
flat angles C4'-P-C4' energy: -156.546
flat angles P-C4'-P energy: -92.675
tors. eta vs tors. theta energy: -222.633
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: 5, replica: 5
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -2416.955836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2416.955836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2424.319280 (E_RNA)
where:
Base-Base interactions energy: -1719.280
where: short stacking energy: -694.137
Base-Backbone interact. energy: -2.117
local terms energy: -702.922132
where:
bonds (distance) C4'-P energy: -109.064
bonds (distance) P-C4' energy: -133.953
flat angles C4'-P-C4' energy: -159.301
flat angles P-C4'-P energy: -91.991
tors. eta vs tors. theta energy: -208.613
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: 6, replica: 9
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -2356.838217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2356.838217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2362.984765 (E_RNA)
where:
Base-Base interactions energy: -1661.244
where: short stacking energy: -741.328
Base-Backbone interact. energy: -1.541
local terms energy: -700.199882
where:
bonds (distance) C4'-P energy: -103.293
bonds (distance) P-C4' energy: -127.370
flat angles C4'-P-C4' energy: -153.222
flat angles P-C4'-P energy: -104.327
tors. eta vs tors. theta energy: -211.987
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: 7, replica: 3
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -2247.354693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2247.354693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2263.632821 (E_RNA)
where:
Base-Base interactions energy: -1582.655
where: short stacking energy: -671.750
Base-Backbone interact. energy: -3.848
local terms energy: -677.130422
where:
bonds (distance) C4'-P energy: -119.630
bonds (distance) P-C4' energy: -104.882
flat angles C4'-P-C4' energy: -154.524
flat angles P-C4'-P energy: -94.265
tors. eta vs tors. theta energy: -203.830
Dist. restrs. and SS energy: 16.278 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -2204.108066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2204.108066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2221.852023 (E_RNA)
where:
Base-Base interactions energy: -1548.304
where: short stacking energy: -664.810
Base-Backbone interact. energy: -0.877
local terms energy: -672.671464
where:
bonds (distance) C4'-P energy: -104.213
bonds (distance) P-C4' energy: -125.442
flat angles C4'-P-C4' energy: -153.912
flat angles P-C4'-P energy: -91.734
tors. eta vs tors. theta energy: -197.371
Dist. restrs. and SS energy: 17.744 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -2069.684873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2069.684873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2081.654803 (E_RNA)
where:
Base-Base interactions energy: -1436.025
where: short stacking energy: -593.710
Base-Backbone interact. energy: -2.399
local terms energy: -643.231088
where:
bonds (distance) C4'-P energy: -125.807
bonds (distance) P-C4' energy: -125.917
flat angles C4'-P-C4' energy: -149.275
flat angles P-C4'-P energy: -64.050
tors. eta vs tors. theta energy: -178.182
Dist. restrs. and SS energy: 11.970 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -1936.432405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1936.432405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1955.197311 (E_RNA)
where:
Base-Base interactions energy: -1352.875
where: short stacking energy: -577.103
Base-Backbone interact. energy: -3.086
local terms energy: -599.236382
where:
bonds (distance) C4'-P energy: -120.848
bonds (distance) P-C4' energy: -108.398
flat angles C4'-P-C4' energy: -145.726
flat angles P-C4'-P energy: -71.119
tors. eta vs tors. theta energy: -153.145
Dist. restrs. and SS energy: 18.765 (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: 10
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -2714.604902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2714.604902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2720.973789 (E_RNA)
where:
Base-Base interactions energy: -1892.322
where: short stacking energy: -812.870
Base-Backbone interact. energy: -4.318
local terms energy: -824.333648
where:
bonds (distance) C4'-P energy: -149.887
bonds (distance) P-C4' energy: -153.625
flat angles C4'-P-C4' energy: -172.486
flat angles P-C4'-P energy: -105.636
tors. eta vs tors. theta energy: -242.699
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: 8
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -2641.476731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2641.476731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2651.185175 (E_RNA)
where:
Base-Base interactions energy: -1850.393
where: short stacking energy: -782.433
Base-Backbone interact. energy: -1.363
local terms energy: -799.429373
where:
bonds (distance) C4'-P energy: -134.478
bonds (distance) P-C4' energy: -150.460
flat angles C4'-P-C4' energy: -164.619
flat angles P-C4'-P energy: -119.519
tors. eta vs tors. theta energy: -230.354
Dist. restrs. and SS energy: 9.708 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -2536.614376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2536.614376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2546.634564 (E_RNA)
where:
Base-Base interactions energy: -1814.002
where: short stacking energy: -743.834
Base-Backbone interact. energy: -3.977
local terms energy: -728.655741
where:
bonds (distance) C4'-P energy: -117.481
bonds (distance) P-C4' energy: -121.975
flat angles C4'-P-C4' energy: -165.084
flat angles P-C4'-P energy: -102.850
tors. eta vs tors. theta energy: -221.265
Dist. restrs. and SS energy: 10.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -2470.376803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2470.376803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2480.731298 (E_RNA)
where:
Base-Base interactions energy: -1696.375
where: short stacking energy: -739.321
Base-Backbone interact. energy: -3.839
local terms energy: -780.517474
where:
bonds (distance) C4'-P energy: -137.769
bonds (distance) P-C4' energy: -139.793
flat angles C4'-P-C4' energy: -172.693
flat angles P-C4'-P energy: -103.490
tors. eta vs tors. theta energy: -226.772
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: 5, replica: 5
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -2397.612556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2397.612556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2404.447972 (E_RNA)
where:
Base-Base interactions energy: -1712.730
where: short stacking energy: -692.458
Base-Backbone interact. energy: 2.694
local terms energy: -694.412640
where:
bonds (distance) C4'-P energy: -129.581
bonds (distance) P-C4' energy: -131.113
flat angles C4'-P-C4' energy: -136.229
flat angles P-C4'-P energy: -91.721
tors. eta vs tors. theta energy: -205.769
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: 6, replica: 9
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -2343.979741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2343.979741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2349.593366 (E_RNA)
where:
Base-Base interactions energy: -1651.068
where: short stacking energy: -669.361
Base-Backbone interact. energy: -4.497
local terms energy: -694.028402
where:
bonds (distance) C4'-P energy: -145.601
bonds (distance) P-C4' energy: -122.307
flat angles C4'-P-C4' energy: -134.959
flat angles P-C4'-P energy: -96.281
tors. eta vs tors. theta energy: -194.881
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: 7, replica: 3
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -2259.307375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2259.307375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2268.780937 (E_RNA)
where:
Base-Base interactions energy: -1581.274
where: short stacking energy: -658.388
Base-Backbone interact. energy: 0.070
local terms energy: -687.576932
where:
bonds (distance) C4'-P energy: -126.767
bonds (distance) P-C4' energy: -112.404
flat angles C4'-P-C4' energy: -145.102
flat angles P-C4'-P energy: -92.595
tors. eta vs tors. theta energy: -210.709
Dist. restrs. and SS energy: 9.474 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -2214.087336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2214.087336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2224.022224 (E_RNA)
where:
Base-Base interactions energy: -1573.311
where: short stacking energy: -686.995
Base-Backbone interact. energy: -0.012
local terms energy: -650.699762
where:
bonds (distance) C4'-P energy: -121.050
bonds (distance) P-C4' energy: -105.108
flat angles C4'-P-C4' energy: -152.099
flat angles P-C4'-P energy: -82.882
tors. eta vs tors. theta energy: -189.561
Dist. restrs. and SS energy: 9.935 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -1998.146073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1998.146073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2011.641712 (E_RNA)
where:
Base-Base interactions energy: -1461.951
where: short stacking energy: -599.394
Base-Backbone interact. energy: -2.249
local terms energy: -547.440808
where:
bonds (distance) C4'-P energy: -94.082
bonds (distance) P-C4' energy: -93.411
flat angles C4'-P-C4' energy: -114.819
flat angles P-C4'-P energy: -85.506
tors. eta vs tors. theta energy: -159.624
Dist. restrs. and SS energy: 13.496 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -1916.882513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.882513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.598909 (E_RNA)
where:
Base-Base interactions energy: -1336.613
where: short stacking energy: -529.723
Base-Backbone interact. energy: -3.033
local terms energy: -597.952403
where:
bonds (distance) C4'-P energy: -128.544
bonds (distance) P-C4' energy: -104.485
flat angles C4'-P-C4' energy: -141.081
flat angles P-C4'-P energy: -73.931
tors. eta vs tors. theta energy: -149.912
Dist. restrs. and SS energy: 20.716 (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: 8
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -2693.499846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2693.499846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2697.630976 (E_RNA)
where:
Base-Base interactions energy: -1871.160
where: short stacking energy: -773.633
Base-Backbone interact. energy: -4.514
local terms energy: -821.957053
where:
bonds (distance) C4'-P energy: -154.467
bonds (distance) P-C4' energy: -151.426
flat angles C4'-P-C4' energy: -166.994
flat angles P-C4'-P energy: -112.426
tors. eta vs tors. theta energy: -236.643
Dist. restrs. and SS energy: 4.131 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -2643.210952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2643.210952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2649.133686 (E_RNA)
where:
Base-Base interactions energy: -1861.153
where: short stacking energy: -783.723
Base-Backbone interact. energy: -2.140
local terms energy: -785.840672
where:
bonds (distance) C4'-P energy: -125.854
bonds (distance) P-C4' energy: -144.490
flat angles C4'-P-C4' energy: -166.948
flat angles P-C4'-P energy: -112.852
tors. eta vs tors. theta energy: -235.696
Dist. restrs. and SS energy: 5.923 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -2545.384039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2545.384039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2552.783367 (E_RNA)
where:
Base-Base interactions energy: -1776.241
where: short stacking energy: -744.151
Base-Backbone interact. energy: -4.314
local terms energy: -772.228738
where:
bonds (distance) C4'-P energy: -134.966
bonds (distance) P-C4' energy: -152.218
flat angles C4'-P-C4' energy: -146.361
flat angles P-C4'-P energy: -110.918
tors. eta vs tors. theta energy: -227.766
Dist. restrs. and SS energy: 7.399 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -2493.264088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2493.264088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2497.621153 (E_RNA)
where:
Base-Base interactions energy: -1726.499
where: short stacking energy: -730.842
Base-Backbone interact. energy: -3.042
local terms energy: -768.080195
where:
bonds (distance) C4'-P energy: -137.522
bonds (distance) P-C4' energy: -143.805
flat angles C4'-P-C4' energy: -164.625
flat angles P-C4'-P energy: -98.176
tors. eta vs tors. theta energy: -223.951
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: 5, replica: 9
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -2425.802834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2425.802834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2433.262378 (E_RNA)
where:
Base-Base interactions energy: -1698.370
where: short stacking energy: -718.918
Base-Backbone interact. energy: 3.332
local terms energy: -738.224269
where:
bonds (distance) C4'-P energy: -122.503
bonds (distance) P-C4' energy: -130.027
flat angles C4'-P-C4' energy: -160.082
flat angles P-C4'-P energy: -108.204
tors. eta vs tors. theta energy: -217.409
Dist. restrs. and SS energy: 7.460 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -2358.696588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2358.696588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2370.091970 (E_RNA)
where:
Base-Base interactions energy: -1641.734
where: short stacking energy: -698.495
Base-Backbone interact. energy: 0.824
local terms energy: -729.182471
where:
bonds (distance) C4'-P energy: -131.131
bonds (distance) P-C4' energy: -135.406
flat angles C4'-P-C4' energy: -154.968
flat angles P-C4'-P energy: -99.320
tors. eta vs tors. theta energy: -208.358
Dist. restrs. and SS energy: 11.395 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -2239.398345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2239.398345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2254.070662 (E_RNA)
where:
Base-Base interactions energy: -1561.539
where: short stacking energy: -646.751
Base-Backbone interact. energy: -0.929
local terms energy: -691.602853
where:
bonds (distance) C4'-P energy: -113.189
bonds (distance) P-C4' energy: -135.766
flat angles C4'-P-C4' energy: -151.169
flat angles P-C4'-P energy: -93.482
tors. eta vs tors. theta energy: -197.998
Dist. restrs. and SS energy: 14.672 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -2192.958933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2192.958933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2205.506128 (E_RNA)
where:
Base-Base interactions energy: -1540.145
where: short stacking energy: -654.900
Base-Backbone interact. energy: -2.337
local terms energy: -663.024387
where:
bonds (distance) C4'-P energy: -119.903
bonds (distance) P-C4' energy: -114.419
flat angles C4'-P-C4' energy: -146.985
flat angles P-C4'-P energy: -93.628
tors. eta vs tors. theta energy: -188.089
Dist. restrs. and SS energy: 12.547 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -2002.624316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2002.624316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2016.670327 (E_RNA)
where:
Base-Base interactions energy: -1407.024
where: short stacking energy: -595.470
Base-Backbone interact. energy: -1.171
local terms energy: -608.475546
where:
bonds (distance) C4'-P energy: -125.867
bonds (distance) P-C4' energy: -113.730
flat angles C4'-P-C4' energy: -125.757
flat angles P-C4'-P energy: -70.310
tors. eta vs tors. theta energy: -172.812
Dist. restrs. and SS energy: 14.046 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -1909.483449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1909.483449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1936.492633 (E_RNA)
where:
Base-Base interactions energy: -1347.845
where: short stacking energy: -539.384
Base-Backbone interact. energy: -2.824
local terms energy: -585.823684
where:
bonds (distance) C4'-P energy: -120.033
bonds (distance) P-C4' energy: -111.679
flat angles C4'-P-C4' energy: -136.116
flat angles P-C4'-P energy: -77.118
tors. eta vs tors. theta energy: -140.877
Dist. restrs. and SS energy: 27.009 (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: 8
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -2682.528488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2682.528488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2691.249637 (E_RNA)
where:
Base-Base interactions energy: -1868.063
where: short stacking energy: -795.293
Base-Backbone interact. energy: -1.658
local terms energy: -821.528395
where:
bonds (distance) C4'-P energy: -150.793
bonds (distance) P-C4' energy: -158.941
flat angles C4'-P-C4' energy: -171.893
flat angles P-C4'-P energy: -113.984
tors. eta vs tors. theta energy: -225.918
Dist. restrs. and SS energy: 8.721 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -2626.048751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2626.048751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2634.784077 (E_RNA)
where:
Base-Base interactions energy: -1833.109
where: short stacking energy: -769.046
Base-Backbone interact. energy: -1.765
local terms energy: -799.910618
where:
bonds (distance) C4'-P energy: -147.176
bonds (distance) P-C4' energy: -137.562
flat angles C4'-P-C4' energy: -162.087
flat angles P-C4'-P energy: -122.392
tors. eta vs tors. theta energy: -230.694
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: 7
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -2566.232544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2566.232544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2576.879110 (E_RNA)
where:
Base-Base interactions energy: -1810.207
where: short stacking energy: -772.394
Base-Backbone interact. energy: -3.835
local terms energy: -762.836350
where:
bonds (distance) C4'-P energy: -125.415
bonds (distance) P-C4' energy: -131.924
flat angles C4'-P-C4' energy: -169.783
flat angles P-C4'-P energy: -110.293
tors. eta vs tors. theta energy: -225.421
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: 9
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -2459.422543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2459.422543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2466.514157 (E_RNA)
where:
Base-Base interactions energy: -1706.531
where: short stacking energy: -710.951
Base-Backbone interact. energy: -1.925
local terms energy: -758.058112
where:
bonds (distance) C4'-P energy: -134.045
bonds (distance) P-C4' energy: -127.849
flat angles C4'-P-C4' energy: -172.030
flat angles P-C4'-P energy: -101.411
tors. eta vs tors. theta energy: -222.723
Dist. restrs. and SS energy: 7.092 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -2416.264414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2416.264414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2426.598089 (E_RNA)
where:
Base-Base interactions energy: -1685.715
where: short stacking energy: -736.270
Base-Backbone interact. energy: -1.493
local terms energy: -739.390755
where:
bonds (distance) C4'-P energy: -125.652
bonds (distance) P-C4' energy: -138.582
flat angles C4'-P-C4' energy: -147.746
flat angles P-C4'-P energy: -108.992
tors. eta vs tors. theta energy: -218.418
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: 6, replica: 5
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -2336.947476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2336.947476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2346.715154 (E_RNA)
where:
Base-Base interactions energy: -1658.416
where: short stacking energy: -695.797
Base-Backbone interact. energy: 0.918
local terms energy: -689.217124
where:
bonds (distance) C4'-P energy: -122.502
bonds (distance) P-C4' energy: -115.247
flat angles C4'-P-C4' energy: -150.353
flat angles P-C4'-P energy: -90.892
tors. eta vs tors. theta energy: -210.224
Dist. restrs. and SS energy: 9.768 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -2270.679991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2270.679991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2278.543219 (E_RNA)
where:
Base-Base interactions energy: -1600.115
where: short stacking energy: -662.083
Base-Backbone interact. energy: 0.455
local terms energy: -678.883289
where:
bonds (distance) C4'-P energy: -116.838
bonds (distance) P-C4' energy: -117.353
flat angles C4'-P-C4' energy: -154.236
flat angles P-C4'-P energy: -85.938
tors. eta vs tors. theta energy: -204.519
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: 8, replica: 3
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -2218.411327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2218.411327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2230.823160 (E_RNA)
where:
Base-Base interactions energy: -1564.094
where: short stacking energy: -662.603
Base-Backbone interact. energy: -3.895
local terms energy: -662.834588
where:
bonds (distance) C4'-P energy: -128.219
bonds (distance) P-C4' energy: -108.661
flat angles C4'-P-C4' energy: -149.174
flat angles P-C4'-P energy: -76.782
tors. eta vs tors. theta energy: -199.999
Dist. restrs. and SS energy: 12.412 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -2071.672270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2071.672270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2081.867253 (E_RNA)
where:
Base-Base interactions energy: -1462.890
where: short stacking energy: -618.296
Base-Backbone interact. energy: -1.992
local terms energy: -616.984939
where:
bonds (distance) C4'-P energy: -97.625
bonds (distance) P-C4' energy: -125.849
flat angles C4'-P-C4' energy: -133.809
flat angles P-C4'-P energy: -98.967
tors. eta vs tors. theta energy: -160.735
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: 10, replica: 1
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -1903.948125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1903.948125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.402597 (E_RNA)
where:
Base-Base interactions energy: -1364.685
where: short stacking energy: -507.409
Base-Backbone interact. energy: -2.124
local terms energy: -574.593385
where:
bonds (distance) C4'-P energy: -105.752
bonds (distance) P-C4' energy: -113.072
flat angles C4'-P-C4' energy: -128.899
flat angles P-C4'-P energy: -80.366
tors. eta vs tors. theta energy: -146.504
Dist. restrs. and SS energy: 37.454 (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: 8
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -2711.825554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2711.825554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2717.812919 (E_RNA)
where:
Base-Base interactions energy: -1879.614
where: short stacking energy: -800.404
Base-Backbone interact. energy: -2.727
local terms energy: -835.471576
where:
bonds (distance) C4'-P energy: -150.504
bonds (distance) P-C4' energy: -158.789
flat angles C4'-P-C4' energy: -170.364
flat angles P-C4'-P energy: -119.827
tors. eta vs tors. theta energy: -235.989
Dist. restrs. and SS energy: 5.987 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -2636.514705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2636.514705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2641.449962 (E_RNA)
where:
Base-Base interactions energy: -1862.597
where: short stacking energy: -774.521
Base-Backbone interact. energy: -4.004
local terms energy: -774.849317
where:
bonds (distance) C4'-P energy: -134.812
bonds (distance) P-C4' energy: -143.987
flat angles C4'-P-C4' energy: -156.516
flat angles P-C4'-P energy: -108.375
tors. eta vs tors. theta energy: -231.160
Dist. restrs. and SS energy: 4.935 (S_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: 138
Temperature: 1.000000
Total energy: -2550.135632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2550.135632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2560.138035 (E_RNA)
where:
Base-Base interactions energy: -1794.663
where: short stacking energy: -747.421
Base-Backbone interact. energy: 3.942
local terms energy: -769.417932
where:
bonds (distance) C4'-P energy: -139.928
bonds (distance) P-C4' energy: -132.012
flat angles C4'-P-C4' energy: -162.351
flat angles P-C4'-P energy: -110.650
tors. eta vs tors. theta energy: -224.476
Dist. restrs. and SS energy: 10.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -2465.170059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2465.170059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2468.594212 (E_RNA)
where:
Base-Base interactions energy: -1754.487
where: short stacking energy: -720.564
Base-Backbone interact. energy: -3.359
local terms energy: -710.748632
where:
bonds (distance) C4'-P energy: -126.904
bonds (distance) P-C4' energy: -128.399
flat angles C4'-P-C4' energy: -152.027
flat angles P-C4'-P energy: -93.117
tors. eta vs tors. theta energy: -210.303
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: 5, replica: 2
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -2381.797185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2381.797185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2389.220750 (E_RNA)
where:
Base-Base interactions energy: -1684.655
where: short stacking energy: -706.729
Base-Backbone interact. energy: 0.049
local terms energy: -704.615025
where:
bonds (distance) C4'-P energy: -117.575
bonds (distance) P-C4' energy: -113.941
flat angles C4'-P-C4' energy: -160.196
flat angles P-C4'-P energy: -103.995
tors. eta vs tors. theta energy: -208.908
Dist. restrs. and SS energy: 7.424 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -2290.830473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2290.830473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2302.582269 (E_RNA)
where:
Base-Base interactions energy: -1604.703
where: short stacking energy: -699.994
Base-Backbone interact. energy: -1.214
local terms energy: -696.664581
where:
bonds (distance) C4'-P energy: -128.521
bonds (distance) P-C4' energy: -137.476
flat angles C4'-P-C4' energy: -144.390
flat angles P-C4'-P energy: -82.271
tors. eta vs tors. theta energy: -204.007
Dist. restrs. and SS energy: 11.752 (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: 4
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -2267.228075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2267.228075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2275.511019 (E_RNA)
where:
Base-Base interactions energy: -1625.892
where: short stacking energy: -684.587
Base-Backbone interact. energy: -0.795
local terms energy: -648.824150
where:
bonds (distance) C4'-P energy: -118.511
bonds (distance) P-C4' energy: -111.894
flat angles C4'-P-C4' energy: -135.076
flat angles P-C4'-P energy: -86.835
tors. eta vs tors. theta energy: -196.508
Dist. restrs. and SS energy: 8.283 (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: 3
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -2209.066304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2209.066304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2217.578360 (E_RNA)
where:
Base-Base interactions energy: -1546.381
where: short stacking energy: -652.504
Base-Backbone interact. energy: -2.262
local terms energy: -668.935547
where:
bonds (distance) C4'-P energy: -111.433
bonds (distance) P-C4' energy: -121.289
flat angles C4'-P-C4' energy: -145.106
flat angles P-C4'-P energy: -92.393
tors. eta vs tors. theta energy: -198.714
Dist. restrs. and SS energy: 8.512 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -2124.915480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2124.915480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2136.522424 (E_RNA)
where:
Base-Base interactions energy: -1482.786
where: short stacking energy: -590.268
Base-Backbone interact. energy: 1.521
local terms energy: -655.257032
where:
bonds (distance) C4'-P energy: -131.725
bonds (distance) P-C4' energy: -121.149
flat angles C4'-P-C4' energy: -145.290
flat angles P-C4'-P energy: -84.122
tors. eta vs tors. theta energy: -172.971
Dist. restrs. and SS energy: 11.607 (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: 1
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -1947.499670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1947.499670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.650972 (E_RNA)
where:
Base-Base interactions energy: -1434.488
where: short stacking energy: -559.783
Base-Backbone interact. energy: -2.037
local terms energy: -528.125360
where:
bonds (distance) C4'-P energy: -87.276
bonds (distance) P-C4' energy: -103.178
flat angles C4'-P-C4' energy: -128.497
flat angles P-C4'-P energy: -64.326
tors. eta vs tors. theta energy: -144.848
Dist. restrs. and SS energy: 17.151 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -2716.502305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2716.502305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2722.978222 (E_RNA)
where:
Base-Base interactions energy: -1910.595
where: short stacking energy: -805.580
Base-Backbone interact. energy: -2.959
local terms energy: -809.424552
where:
bonds (distance) C4'-P energy: -143.549
bonds (distance) P-C4' energy: -136.445
flat angles C4'-P-C4' energy: -176.823
flat angles P-C4'-P energy: -109.568
tors. eta vs tors. theta energy: -243.039
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: 2, replica: 10
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -2596.184728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2596.184728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2602.484289 (E_RNA)
where:
Base-Base interactions energy: -1811.119
where: short stacking energy: -778.674
Base-Backbone interact. energy: -1.284
local terms energy: -790.081795
where:
bonds (distance) C4'-P energy: -139.649
bonds (distance) P-C4' energy: -138.524
flat angles C4'-P-C4' energy: -175.045
flat angles P-C4'-P energy: -112.883
tors. eta vs tors. theta energy: -223.981
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: 7
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -2572.600526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2572.600526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2591.184838 (E_RNA)
where:
Base-Base interactions energy: -1786.285
where: short stacking energy: -767.715
Base-Backbone interact. energy: -1.473
local terms energy: -803.426113
where:
bonds (distance) C4'-P energy: -148.209
bonds (distance) P-C4' energy: -137.517
flat angles C4'-P-C4' energy: -169.352
flat angles P-C4'-P energy: -111.792
tors. eta vs tors. theta energy: -236.556
Dist. restrs. and SS energy: 18.584 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -2481.072423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2481.072423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2490.735302 (E_RNA)
where:
Base-Base interactions energy: -1767.894
where: short stacking energy: -728.384
Base-Backbone interact. energy: 2.538
local terms energy: -725.379545
where:
bonds (distance) C4'-P energy: -114.802
bonds (distance) P-C4' energy: -135.449
flat angles C4'-P-C4' energy: -155.801
flat angles P-C4'-P energy: -95.645
tors. eta vs tors. theta energy: -223.683
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: 5, replica: 2
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -2333.218852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2333.218852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2341.861046 (E_RNA)
where:
Base-Base interactions energy: -1622.982
where: short stacking energy: -656.201
Base-Backbone interact. energy: -1.265
local terms energy: -717.613636
where:
bonds (distance) C4'-P energy: -128.476
bonds (distance) P-C4' energy: -142.144
flat angles C4'-P-C4' energy: -141.628
flat angles P-C4'-P energy: -110.181
tors. eta vs tors. theta energy: -195.185
Dist. restrs. and SS energy: 8.642 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -2277.865458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2277.865458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2291.563978 (E_RNA)
where:
Base-Base interactions energy: -1604.630
where: short stacking energy: -667.877
Base-Backbone interact. energy: -0.501
local terms energy: -686.433211
where:
bonds (distance) C4'-P energy: -112.203
bonds (distance) P-C4' energy: -125.509
flat angles C4'-P-C4' energy: -154.998
flat angles P-C4'-P energy: -84.400
tors. eta vs tors. theta energy: -209.322
Dist. restrs. and SS energy: 13.699 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -2278.835111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2278.835111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2289.221356 (E_RNA)
where:
Base-Base interactions energy: -1581.336
where: short stacking energy: -668.161
Base-Backbone interact. energy: -1.175
local terms energy: -706.709808
where:
bonds (distance) C4'-P energy: -125.690
bonds (distance) P-C4' energy: -138.508
flat angles C4'-P-C4' energy: -144.943
flat angles P-C4'-P energy: -85.252
tors. eta vs tors. theta energy: -212.317
Dist. restrs. and SS energy: 10.386 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -2108.343917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2108.343917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2119.842465 (E_RNA)
where:
Base-Base interactions energy: -1492.011
where: short stacking energy: -612.739
Base-Backbone interact. energy: 0.867
local terms energy: -628.697753
where:
bonds (distance) C4'-P energy: -118.784
bonds (distance) P-C4' energy: -130.303
flat angles C4'-P-C4' energy: -130.479
flat angles P-C4'-P energy: -93.089
tors. eta vs tors. theta energy: -156.042
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: 9, replica: 3
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -2149.699412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2149.699412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2161.512163 (E_RNA)
where:
Base-Base interactions energy: -1531.877
where: short stacking energy: -655.713
Base-Backbone interact. energy: 2.854
local terms energy: -632.489285
where:
bonds (distance) C4'-P energy: -113.157
bonds (distance) P-C4' energy: -92.004
flat angles C4'-P-C4' energy: -139.334
flat angles P-C4'-P energy: -82.122
tors. eta vs tors. theta energy: -205.873
Dist. restrs. and SS energy: 11.813 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -1987.247611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1987.247611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2004.312484 (E_RNA)
where:
Base-Base interactions energy: -1422.195
where: short stacking energy: -575.958
Base-Backbone interact. energy: -2.803
local terms energy: -579.313963
where:
bonds (distance) C4'-P energy: -107.131
bonds (distance) P-C4' energy: -111.907
flat angles C4'-P-C4' energy: -128.317
flat angles P-C4'-P energy: -70.115
tors. eta vs tors. theta energy: -161.844
Dist. restrs. and SS energy: 17.065 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -2724.283241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2724.283241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2729.708410 (E_RNA)
where:
Base-Base interactions energy: -1900.748
where: short stacking energy: -827.584
Base-Backbone interact. energy: -3.773
local terms energy: -825.187459
where:
bonds (distance) C4'-P energy: -139.787
bonds (distance) P-C4' energy: -158.512
flat angles C4'-P-C4' energy: -168.385
flat angles P-C4'-P energy: -113.280
tors. eta vs tors. theta energy: -245.224
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: 10
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -2612.198505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2612.198505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2617.886569 (E_RNA)
where:
Base-Base interactions energy: -1823.292
where: short stacking energy: -779.476
Base-Backbone interact. energy: -3.248
local terms energy: -791.347046
where:
bonds (distance) C4'-P energy: -141.497
bonds (distance) P-C4' energy: -150.571
flat angles C4'-P-C4' energy: -159.983
flat angles P-C4'-P energy: -109.104
tors. eta vs tors. theta energy: -230.191
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: 3, replica: 7
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -2544.865014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2544.865014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2558.465369 (E_RNA)
where:
Base-Base interactions energy: -1819.604
where: short stacking energy: -732.382
Base-Backbone interact. energy: -3.452
local terms energy: -735.409704
where:
bonds (distance) C4'-P energy: -147.737
bonds (distance) P-C4' energy: -123.840
flat angles C4'-P-C4' energy: -152.164
flat angles P-C4'-P energy: -83.118
tors. eta vs tors. theta energy: -228.551
Dist. restrs. and SS energy: 13.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -2512.246093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2512.246093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2520.512768 (E_RNA)
where:
Base-Base interactions energy: -1784.171
where: short stacking energy: -740.043
Base-Backbone interact. energy: 0.163
local terms energy: -736.505045
where:
bonds (distance) C4'-P energy: -140.826
bonds (distance) P-C4' energy: -132.494
flat angles C4'-P-C4' energy: -150.230
flat angles P-C4'-P energy: -95.756
tors. eta vs tors. theta energy: -217.200
Dist. restrs. and SS energy: 8.267 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -2393.825848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2393.825848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2398.066777 (E_RNA)
where:
Base-Base interactions energy: -1691.562
where: short stacking energy: -727.925
Base-Backbone interact. energy: 0.416
local terms energy: -706.920611
where:
bonds (distance) C4'-P energy: -122.128
bonds (distance) P-C4' energy: -115.572
flat angles C4'-P-C4' energy: -149.967
flat angles P-C4'-P energy: -101.416
tors. eta vs tors. theta energy: -217.837
Dist. restrs. and SS energy: 4.241 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -2286.991191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2286.991191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2298.499439 (E_RNA)
where:
Base-Base interactions energy: -1593.296
where: short stacking energy: -683.813
Base-Backbone interact. energy: -1.426
local terms energy: -703.776843
where:
bonds (distance) C4'-P energy: -126.057
bonds (distance) P-C4' energy: -117.169
flat angles C4'-P-C4' energy: -154.312
flat angles P-C4'-P energy: -100.353
tors. eta vs tors. theta energy: -205.886
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: 7, replica: 4
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -2254.540962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2254.540962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2263.610700 (E_RNA)
where:
Base-Base interactions energy: -1593.097
where: short stacking energy: -684.044
Base-Backbone interact. energy: -4.689
local terms energy: -665.824741
where:
bonds (distance) C4'-P energy: -114.621
bonds (distance) P-C4' energy: -129.443
flat angles C4'-P-C4' energy: -142.662
flat angles P-C4'-P energy: -84.447
tors. eta vs tors. theta energy: -194.652
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: 8, replica: 6
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -2135.911362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2135.911362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2146.403697 (E_RNA)
where:
Base-Base interactions energy: -1520.782
where: short stacking energy: -622.572
Base-Backbone interact. energy: -1.582
local terms energy: -624.039532
where:
bonds (distance) C4'-P energy: -118.980
bonds (distance) P-C4' energy: -116.462
flat angles C4'-P-C4' energy: -130.523
flat angles P-C4'-P energy: -81.511
tors. eta vs tors. theta energy: -176.564
Dist. restrs. and SS energy: 10.492 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -2215.334486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2215.334486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2225.086942 (E_RNA)
where:
Base-Base interactions energy: -1557.277
where: short stacking energy: -602.932
Base-Backbone interact. energy: -0.760
local terms energy: -667.050207
where:
bonds (distance) C4'-P energy: -113.637
bonds (distance) P-C4' energy: -123.317
flat angles C4'-P-C4' energy: -142.134
flat angles P-C4'-P energy: -92.252
tors. eta vs tors. theta energy: -195.710
Dist. restrs. and SS energy: 9.752 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -1964.810927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.810927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1982.659712 (E_RNA)
where:
Base-Base interactions energy: -1407.323
where: short stacking energy: -585.608
Base-Backbone interact. energy: -0.158
local terms energy: -575.178781
where:
bonds (distance) C4'-P energy: -108.541
bonds (distance) P-C4' energy: -101.702
flat angles C4'-P-C4' energy: -113.390
flat angles P-C4'-P energy: -82.189
tors. eta vs tors. theta energy: -169.358
Dist. restrs. and SS energy: 17.849 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -2706.266189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2706.266189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2714.174253 (E_RNA)
where:
Base-Base interactions energy: -1919.191
where: short stacking energy: -803.705
Base-Backbone interact. energy: 0.110
local terms energy: -795.092900
where:
bonds (distance) C4'-P energy: -131.445
bonds (distance) P-C4' energy: -139.098
flat angles C4'-P-C4' energy: -168.455
flat angles P-C4'-P energy: -111.747
tors. eta vs tors. theta energy: -244.349
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: 2, replica: 10
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -2594.827974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2594.827974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2600.929685 (E_RNA)
where:
Base-Base interactions energy: -1785.657
where: short stacking energy: -766.093
Base-Backbone interact. energy: -0.360
local terms energy: -814.912516
where:
bonds (distance) C4'-P energy: -156.105
bonds (distance) P-C4' energy: -153.412
flat angles C4'-P-C4' energy: -171.906
flat angles P-C4'-P energy: -105.725
tors. eta vs tors. theta energy: -227.764
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: 3, replica: 7
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -2554.371270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2554.371270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2567.345590 (E_RNA)
where:
Base-Base interactions energy: -1771.499
where: short stacking energy: -740.669
Base-Backbone interact. energy: -1.226
local terms energy: -794.620388
where:
bonds (distance) C4'-P energy: -141.022
bonds (distance) P-C4' energy: -150.245
flat angles C4'-P-C4' energy: -157.940
flat angles P-C4'-P energy: -119.524
tors. eta vs tors. theta energy: -225.890
Dist. restrs. and SS energy: 12.974 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -2492.996946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2492.996946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2500.389353 (E_RNA)
where:
Base-Base interactions energy: -1730.042
where: short stacking energy: -722.440
Base-Backbone interact. energy: -2.549
local terms energy: -767.797694
where:
bonds (distance) C4'-P energy: -142.459
bonds (distance) P-C4' energy: -138.351
flat angles C4'-P-C4' energy: -157.883
flat angles P-C4'-P energy: -112.490
tors. eta vs tors. theta energy: -216.615
Dist. restrs. and SS energy: 7.392 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -2385.990334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2385.990334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2392.603591 (E_RNA)
where:
Base-Base interactions energy: -1686.630
where: short stacking energy: -716.714
Base-Backbone interact. energy: 0.295
local terms energy: -706.269122
where:
bonds (distance) C4'-P energy: -125.990
bonds (distance) P-C4' energy: -134.662
flat angles C4'-P-C4' energy: -142.854
flat angles P-C4'-P energy: -96.731
tors. eta vs tors. theta energy: -206.032
Dist. restrs. and SS energy: 6.613 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -2304.044449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2304.044449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2317.693627 (E_RNA)
where:
Base-Base interactions energy: -1600.061
where: short stacking energy: -676.543
Base-Backbone interact. energy: -2.974
local terms energy: -714.657900
where:
bonds (distance) C4'-P energy: -135.887
bonds (distance) P-C4' energy: -142.861
flat angles C4'-P-C4' energy: -152.411
flat angles P-C4'-P energy: -84.395
tors. eta vs tors. theta energy: -199.104
Dist. restrs. and SS energy: 13.649 (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: 4
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -2289.845084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2289.845084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2299.540748 (E_RNA)
where:
Base-Base interactions energy: -1648.277
where: short stacking energy: -694.002
Base-Backbone interact. energy: -3.420
local terms energy: -647.844620
where:
bonds (distance) C4'-P energy: -123.073
bonds (distance) P-C4' energy: -96.895
flat angles C4'-P-C4' energy: -138.147
flat angles P-C4'-P energy: -84.620
tors. eta vs tors. theta energy: -205.109
Dist. restrs. and SS energy: 9.696 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -2195.710145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2195.710145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2201.111144 (E_RNA)
where:
Base-Base interactions energy: -1586.678
where: short stacking energy: -638.713
Base-Backbone interact. energy: 1.650
local terms energy: -616.083675
where:
bonds (distance) C4'-P energy: -88.468
bonds (distance) P-C4' energy: -128.044
flat angles C4'-P-C4' energy: -140.342
flat angles P-C4'-P energy: -60.994
tors. eta vs tors. theta energy: -198.236
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: 9, replica: 6
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -2035.404811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2035.404811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2048.949364 (E_RNA)
where:
Base-Base interactions energy: -1429.244
where: short stacking energy: -571.555
Base-Backbone interact. energy: -0.602
local terms energy: -619.102767
where:
bonds (distance) C4'-P energy: -104.827
bonds (distance) P-C4' energy: -110.514
flat angles C4'-P-C4' energy: -139.246
flat angles P-C4'-P energy: -96.382
tors. eta vs tors. theta energy: -168.133
Dist. restrs. and SS energy: 13.545 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -1916.203664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.203664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.342408 (E_RNA)
where:
Base-Base interactions energy: -1367.576
where: short stacking energy: -573.421
Base-Backbone interact. energy: -0.483
local terms energy: -574.283123
where:
bonds (distance) C4'-P energy: -113.234
bonds (distance) P-C4' energy: -110.212
flat angles C4'-P-C4' energy: -139.925
flat angles P-C4'-P energy: -57.151
tors. eta vs tors. theta energy: -153.762
Dist. restrs. and SS energy: 26.139 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -2713.625670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2713.625670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2721.473948 (E_RNA)
where:
Base-Base interactions energy: -1918.462
where: short stacking energy: -821.716
Base-Backbone interact. energy: -3.015
local terms energy: -799.997085
where:
bonds (distance) C4'-P energy: -141.669
bonds (distance) P-C4' energy: -143.080
flat angles C4'-P-C4' energy: -164.258
flat angles P-C4'-P energy: -108.508
tors. eta vs tors. theta energy: -242.482
Dist. restrs. and SS energy: 7.848 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -2610.239369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2610.239369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2615.681650 (E_RNA)
where:
Base-Base interactions energy: -1800.994
where: short stacking energy: -789.198
Base-Backbone interact. energy: -0.718
local terms energy: -813.969866
where:
bonds (distance) C4'-P energy: -152.879
bonds (distance) P-C4' energy: -139.092
flat angles C4'-P-C4' energy: -169.168
flat angles P-C4'-P energy: -115.054
tors. eta vs tors. theta energy: -237.778
Dist. restrs. and SS energy: 5.442 (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: 142
Temperature: 1.000000
Total energy: -2532.136011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2532.136011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2537.974443 (E_RNA)
where:
Base-Base interactions energy: -1772.423
where: short stacking energy: -750.046
Base-Backbone interact. energy: -1.856
local terms energy: -763.695959
where:
bonds (distance) C4'-P energy: -135.446
bonds (distance) P-C4' energy: -147.343
flat angles C4'-P-C4' energy: -151.787
flat angles P-C4'-P energy: -111.255
tors. eta vs tors. theta energy: -217.865
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: 4, replica: 7
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -2496.702526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2496.702526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2509.515964 (E_RNA)
where:
Base-Base interactions energy: -1739.906
where: short stacking energy: -727.968
Base-Backbone interact. energy: -6.201
local terms energy: -763.409828
where:
bonds (distance) C4'-P energy: -139.391
bonds (distance) P-C4' energy: -129.726
flat angles C4'-P-C4' energy: -161.611
flat angles P-C4'-P energy: -105.574
tors. eta vs tors. theta energy: -227.107
Dist. restrs. and SS energy: 12.813 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -2436.318361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2436.318361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2447.650141 (E_RNA)
where:
Base-Base interactions energy: -1686.223
where: short stacking energy: -714.467
Base-Backbone interact. energy: -1.766
local terms energy: -759.661954
where:
bonds (distance) C4'-P energy: -142.932
bonds (distance) P-C4' energy: -136.034
flat angles C4'-P-C4' energy: -163.887
flat angles P-C4'-P energy: -92.528
tors. eta vs tors. theta energy: -224.281
Dist. restrs. and SS energy: 11.332 (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: 5
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -2302.663953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2302.663953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2315.594453 (E_RNA)
where:
Base-Base interactions energy: -1631.720
where: short stacking energy: -694.412
Base-Backbone interact. energy: -1.663
local terms energy: -682.212202
where:
bonds (distance) C4'-P energy: -109.846
bonds (distance) P-C4' energy: -119.703
flat angles C4'-P-C4' energy: -146.998
flat angles P-C4'-P energy: -100.424
tors. eta vs tors. theta energy: -205.241
Dist. restrs. and SS energy: 12.931 (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: 4
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -2270.953912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2270.953912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2284.739808 (E_RNA)
where:
Base-Base interactions energy: -1596.656
where: short stacking energy: -683.548
Base-Backbone interact. energy: -2.929
local terms energy: -685.155053
where:
bonds (distance) C4'-P energy: -132.541
bonds (distance) P-C4' energy: -123.763
flat angles C4'-P-C4' energy: -140.496
flat angles P-C4'-P energy: -89.778
tors. eta vs tors. theta energy: -198.577
Dist. restrs. and SS energy: 13.786 (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: 3
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -2247.989033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2247.989033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2256.726330 (E_RNA)
where:
Base-Base interactions energy: -1606.301
where: short stacking energy: -664.775
Base-Backbone interact. energy: -3.170
local terms energy: -647.255840
where:
bonds (distance) C4'-P energy: -114.790
bonds (distance) P-C4' energy: -92.365
flat angles C4'-P-C4' energy: -142.796
flat angles P-C4'-P energy: -92.174
tors. eta vs tors. theta energy: -205.131
Dist. restrs. and SS energy: 8.737 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -2043.314496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2043.314496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2062.063537 (E_RNA)
where:
Base-Base interactions energy: -1457.396
where: short stacking energy: -606.824
Base-Backbone interact. energy: 3.590
local terms energy: -608.257436
where:
bonds (distance) C4'-P energy: -109.705
bonds (distance) P-C4' energy: -113.310
flat angles C4'-P-C4' energy: -131.447
flat angles P-C4'-P energy: -84.360
tors. eta vs tors. theta energy: -169.436
Dist. restrs. and SS energy: 18.749 (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: 1
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -1974.922589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.922589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.763648 (E_RNA)
where:
Base-Base interactions energy: -1397.269
where: short stacking energy: -548.650
Base-Backbone interact. energy: 1.667
local terms energy: -596.161413
where:
bonds (distance) C4'-P energy: -106.923
bonds (distance) P-C4' energy: -130.577
flat angles C4'-P-C4' energy: -117.622
flat angles P-C4'-P energy: -89.522
tors. eta vs tors. theta energy: -151.517
Dist. restrs. and SS energy: 16.841 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -2741.757051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2741.757051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2749.887257 (E_RNA)
where:
Base-Base interactions energy: -1920.480
where: short stacking energy: -795.373
Base-Backbone interact. energy: -4.174
local terms energy: -825.232931
where:
bonds (distance) C4'-P energy: -152.915
bonds (distance) P-C4' energy: -150.021
flat angles C4'-P-C4' energy: -163.056
flat angles P-C4'-P energy: -122.249
tors. eta vs tors. theta energy: -236.993
Dist. restrs. and SS energy: 8.130 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -2617.838043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2617.838043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2624.728883 (E_RNA)
where:
Base-Base interactions energy: -1824.088
where: short stacking energy: -759.250
Base-Backbone interact. energy: -4.030
local terms energy: -796.610664
where:
bonds (distance) C4'-P energy: -140.938
bonds (distance) P-C4' energy: -141.446
flat angles C4'-P-C4' energy: -167.456
flat angles P-C4'-P energy: -113.624
tors. eta vs tors. theta energy: -233.147
Dist. restrs. and SS energy: 6.891 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -2584.855375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2584.855375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2592.065933 (E_RNA)
where:
Base-Base interactions energy: -1791.450
where: short stacking energy: -788.067
Base-Backbone interact. energy: -5.929
local terms energy: -794.687047
where:
bonds (distance) C4'-P energy: -154.726
bonds (distance) P-C4' energy: -135.345
flat angles C4'-P-C4' energy: -167.331
flat angles P-C4'-P energy: -108.358
tors. eta vs tors. theta energy: -228.927
Dist. restrs. and SS energy: 7.211 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -2468.308425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2468.308425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2474.387190 (E_RNA)
where:
Base-Base interactions energy: -1722.665
where: short stacking energy: -721.138
Base-Backbone interact. energy: -3.581
local terms energy: -748.141560
where:
bonds (distance) C4'-P energy: -136.182
bonds (distance) P-C4' energy: -145.946
flat angles C4'-P-C4' energy: -151.153
flat angles P-C4'-P energy: -107.239
tors. eta vs tors. theta energy: -207.622
Dist. restrs. and SS energy: 6.079 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -2365.941880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2365.941880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2375.695516 (E_RNA)
where:
Base-Base interactions energy: -1674.679
where: short stacking energy: -700.474
Base-Backbone interact. energy: -3.328
local terms energy: -697.688874
where:
bonds (distance) C4'-P energy: -109.913
bonds (distance) P-C4' energy: -141.305
flat angles C4'-P-C4' energy: -145.219
flat angles P-C4'-P energy: -100.148
tors. eta vs tors. theta energy: -201.103
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: 6, replica: 4
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -2361.192014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2361.192014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2371.252876 (E_RNA)
where:
Base-Base interactions energy: -1670.400
where: short stacking energy: -703.479
Base-Backbone interact. energy: -3.599
local terms energy: -697.254073
where:
bonds (distance) C4'-P energy: -125.299
bonds (distance) P-C4' energy: -134.333
flat angles C4'-P-C4' energy: -142.315
flat angles P-C4'-P energy: -97.367
tors. eta vs tors. theta energy: -197.940
Dist. restrs. and SS energy: 10.061 (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: 143
Temperature: 1.200000
Total energy: -2266.053439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2266.053439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2275.529209 (E_RNA)
where:
Base-Base interactions energy: -1620.763
where: short stacking energy: -677.303
Base-Backbone interact. energy: -3.757
local terms energy: -651.009463
where:
bonds (distance) C4'-P energy: -99.699
bonds (distance) P-C4' energy: -138.425
flat angles C4'-P-C4' energy: -134.965
flat angles P-C4'-P energy: -77.003
tors. eta vs tors. theta energy: -200.917
Dist. restrs. and SS energy: 9.476 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -2288.810729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2288.810729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2299.620908 (E_RNA)
where:
Base-Base interactions energy: -1622.177
where: short stacking energy: -667.938
Base-Backbone interact. energy: 0.583
local terms energy: -678.026551
where:
bonds (distance) C4'-P energy: -113.930
bonds (distance) P-C4' energy: -125.594
flat angles C4'-P-C4' energy: -151.634
flat angles P-C4'-P energy: -88.174
tors. eta vs tors. theta energy: -198.695
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: 6
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -2059.219539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2059.219539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2069.240475 (E_RNA)
where:
Base-Base interactions energy: -1477.666
where: short stacking energy: -612.014
Base-Backbone interact. energy: 2.525
local terms energy: -594.099100
where:
bonds (distance) C4'-P energy: -93.824
bonds (distance) P-C4' energy: -133.176
flat angles C4'-P-C4' energy: -112.955
flat angles P-C4'-P energy: -74.853
tors. eta vs tors. theta energy: -179.291
Dist. restrs. and SS energy: 10.021 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -1942.933271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.933271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1963.870070 (E_RNA)
where:
Base-Base interactions energy: -1379.228
where: short stacking energy: -544.761
Base-Backbone interact. energy: 0.190
local terms energy: -584.832329
where:
bonds (distance) C4'-P energy: -110.225
bonds (distance) P-C4' energy: -109.410
flat angles C4'-P-C4' energy: -131.110
flat angles P-C4'-P energy: -85.687
tors. eta vs tors. theta energy: -148.400
Dist. restrs. and SS energy: 20.937 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -2714.383723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2714.383723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2721.609400 (E_RNA)
where:
Base-Base interactions energy: -1907.926
where: short stacking energy: -811.063
Base-Backbone interact. energy: -0.716
local terms energy: -812.967634
where:
bonds (distance) C4'-P energy: -129.059
bonds (distance) P-C4' energy: -153.679
flat angles C4'-P-C4' energy: -174.035
flat angles P-C4'-P energy: -123.888
tors. eta vs tors. theta energy: -232.308
Dist. restrs. and SS energy: 7.226 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -2634.395402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2634.395402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2639.094085 (E_RNA)
where:
Base-Base interactions energy: -1821.520
where: short stacking energy: -792.049
Base-Backbone interact. energy: -2.948
local terms energy: -814.625671
where:
bonds (distance) C4'-P energy: -137.817
bonds (distance) P-C4' energy: -146.246
flat angles C4'-P-C4' energy: -169.171
flat angles P-C4'-P energy: -121.539
tors. eta vs tors. theta energy: -239.852
Dist. restrs. and SS energy: 4.699 (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: 9
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -2586.630697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2586.630697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2592.395281 (E_RNA)
where:
Base-Base interactions energy: -1807.652
where: short stacking energy: -777.390
Base-Backbone interact. energy: -3.644
local terms energy: -781.098524
where:
bonds (distance) C4'-P energy: -135.834
bonds (distance) P-C4' energy: -150.234
flat angles C4'-P-C4' energy: -154.980
flat angles P-C4'-P energy: -112.013
tors. eta vs tors. theta energy: -228.038
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: 4, replica: 7
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -2497.320944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2497.320944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2511.362139 (E_RNA)
where:
Base-Base interactions energy: -1776.702
where: short stacking energy: -739.749
Base-Backbone interact. energy: -0.405
local terms energy: -734.255076
where:
bonds (distance) C4'-P energy: -116.241
bonds (distance) P-C4' energy: -137.646
flat angles C4'-P-C4' energy: -162.590
flat angles P-C4'-P energy: -98.885
tors. eta vs tors. theta energy: -218.892
Dist. restrs. and SS energy: 14.041 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -2402.807463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2402.807463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2413.635089 (E_RNA)
where:
Base-Base interactions energy: -1681.805
where: short stacking energy: -721.398
Base-Backbone interact. energy: 0.370
local terms energy: -732.200107
where:
bonds (distance) C4'-P energy: -125.128
bonds (distance) P-C4' energy: -129.509
flat angles C4'-P-C4' energy: -159.764
flat angles P-C4'-P energy: -100.033
tors. eta vs tors. theta energy: -217.766
Dist. restrs. and SS energy: 10.828 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -2331.871236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2331.871236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2341.648692 (E_RNA)
where:
Base-Base interactions energy: -1623.766
where: short stacking energy: -710.880
Base-Backbone interact. energy: -2.535
local terms energy: -715.347794
where:
bonds (distance) C4'-P energy: -139.148
bonds (distance) P-C4' energy: -112.811
flat angles C4'-P-C4' energy: -148.926
flat angles P-C4'-P energy: -110.235
tors. eta vs tors. theta energy: -204.227
Dist. restrs. and SS energy: 9.777 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -2227.560165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2227.560165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2240.756307 (E_RNA)
where:
Base-Base interactions energy: -1574.731
where: short stacking energy: -659.162
Base-Backbone interact. energy: -2.491
local terms energy: -663.534534
where:
bonds (distance) C4'-P energy: -118.639
bonds (distance) P-C4' energy: -125.137
flat angles C4'-P-C4' energy: -135.675
flat angles P-C4'-P energy: -86.094
tors. eta vs tors. theta energy: -197.989
Dist. restrs. and SS energy: 13.196 (S_DIST_RNA)
chem. 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: -2228.379293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2228.379293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2239.657004 (E_RNA)
where:
Base-Base interactions energy: -1595.695
where: short stacking energy: -668.510
Base-Backbone interact. energy: -2.758
local terms energy: -641.203778
where:
bonds (distance) C4'-P energy: -111.585
bonds (distance) P-C4' energy: -119.051
flat angles C4'-P-C4' energy: -140.310
flat angles P-C4'-P energy: -71.873
tors. eta vs tors. theta energy: -198.385
Dist. restrs. and SS energy: 11.278 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -2018.870090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.870090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2051.637751 (E_RNA)
where:
Base-Base interactions energy: -1429.060
where: short stacking energy: -590.505
Base-Backbone interact. energy: 0.653
local terms energy: -623.230441
where:
bonds (distance) C4'-P energy: -114.521
bonds (distance) P-C4' energy: -116.154
flat angles C4'-P-C4' energy: -143.502
flat angles P-C4'-P energy: -93.826
tors. eta vs tors. theta energy: -155.228
Dist. restrs. and SS energy: 32.768 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -1971.762686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1971.762686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1985.093235 (E_RNA)
where:
Base-Base interactions energy: -1394.497
where: short stacking energy: -564.379
Base-Backbone interact. energy: -1.573
local terms energy: -589.023373
where:
bonds (distance) C4'-P energy: -111.788
bonds (distance) P-C4' energy: -122.678
flat angles C4'-P-C4' energy: -126.637
flat angles P-C4'-P energy: -70.558
tors. eta vs tors. theta energy: -157.363
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: 1, replica: 8
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -2696.158174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2696.158174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2703.026880 (E_RNA)
where:
Base-Base interactions energy: -1892.909
where: short stacking energy: -789.014
Base-Backbone interact. energy: -1.775
local terms energy: -808.342775
where:
bonds (distance) C4'-P energy: -148.156
bonds (distance) P-C4' energy: -141.468
flat angles C4'-P-C4' energy: -161.672
flat angles P-C4'-P energy: -118.840
tors. eta vs tors. theta energy: -238.207
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: 2, replica: 9
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -2643.804675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2643.804675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2650.473509 (E_RNA)
where:
Base-Base interactions energy: -1866.115
where: short stacking energy: -800.512
Base-Backbone interact. energy: 0.079
local terms energy: -784.438123
where:
bonds (distance) C4'-P energy: -142.666
bonds (distance) P-C4' energy: -127.071
flat angles C4'-P-C4' energy: -167.260
flat angles P-C4'-P energy: -116.603
tors. eta vs tors. theta energy: -230.838
Dist. restrs. and SS energy: 6.669 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -2579.907770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2579.907770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2587.646681 (E_RNA)
where:
Base-Base interactions energy: -1790.274
where: short stacking energy: -776.522
Base-Backbone interact. energy: -2.087
local terms energy: -795.285650
where:
bonds (distance) C4'-P energy: -148.880
bonds (distance) P-C4' energy: -141.498
flat angles C4'-P-C4' energy: -162.120
flat angles P-C4'-P energy: -111.044
tors. eta vs tors. theta energy: -231.744
Dist. restrs. and SS energy: 7.739 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -2478.953356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2478.953356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2491.939127 (E_RNA)
where:
Base-Base interactions energy: -1749.271
where: short stacking energy: -739.787
Base-Backbone interact. energy: -2.856
local terms energy: -739.811975
where:
bonds (distance) C4'-P energy: -126.714
bonds (distance) P-C4' energy: -122.218
flat angles C4'-P-C4' energy: -157.158
flat angles P-C4'-P energy: -104.628
tors. eta vs tors. theta energy: -229.093
Dist. restrs. and SS energy: 12.986 (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: 4
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -2374.958785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2374.958785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2382.390297 (E_RNA)
where:
Base-Base interactions energy: -1650.626
where: short stacking energy: -676.190
Base-Backbone interact. energy: -1.162
local terms energy: -730.601919
where:
bonds (distance) C4'-P energy: -128.603
bonds (distance) P-C4' energy: -135.989
flat angles C4'-P-C4' energy: -161.910
flat angles P-C4'-P energy: -99.668
tors. eta vs tors. theta energy: -204.432
Dist. restrs. and SS energy: 7.432 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -2318.583596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2318.583596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2328.217464 (E_RNA)
where:
Base-Base interactions energy: -1648.926
where: short stacking energy: -691.237
Base-Backbone interact. energy: -1.305
local terms energy: -677.986736
where:
bonds (distance) C4'-P energy: -111.121
bonds (distance) P-C4' energy: -129.362
flat angles C4'-P-C4' energy: -152.011
flat angles P-C4'-P energy: -88.311
tors. eta vs tors. theta energy: -197.181
Dist. restrs. and SS energy: 9.634 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -2232.939131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2232.939131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2244.237831 (E_RNA)
where:
Base-Base interactions energy: -1566.610
where: short stacking energy: -677.840
Base-Backbone interact. energy: -2.870
local terms energy: -674.757790
where:
bonds (distance) C4'-P energy: -119.460
bonds (distance) P-C4' energy: -126.204
flat angles C4'-P-C4' energy: -137.509
flat angles P-C4'-P energy: -83.169
tors. eta vs tors. theta energy: -208.415
Dist. restrs. and SS energy: 11.299 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -2169.081425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2169.081425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2183.322795 (E_RNA)
where:
Base-Base interactions energy: -1518.216
where: short stacking energy: -601.236
Base-Backbone interact. energy: -3.694
local terms energy: -661.412461
where:
bonds (distance) C4'-P energy: -114.680
bonds (distance) P-C4' energy: -117.345
flat angles C4'-P-C4' energy: -141.266
flat angles P-C4'-P energy: -100.316
tors. eta vs tors. theta energy: -187.806
Dist. restrs. and SS energy: 14.241 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -2046.926621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2046.926621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2059.015246 (E_RNA)
where:
Base-Base interactions energy: -1465.217
where: short stacking energy: -577.875
Base-Backbone interact. energy: -2.640
local terms energy: -591.158028
where:
bonds (distance) C4'-P energy: -130.703
bonds (distance) P-C4' energy: -107.867
flat angles C4'-P-C4' energy: -132.804
flat angles P-C4'-P energy: -65.598
tors. eta vs tors. theta energy: -154.186
Dist. restrs. and SS energy: 12.089 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -2033.976429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.976429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2047.514804 (E_RNA)
where:
Base-Base interactions energy: -1468.021
where: short stacking energy: -596.846
Base-Backbone interact. energy: -3.428
local terms energy: -576.065262
where:
bonds (distance) C4'-P energy: -83.874
bonds (distance) P-C4' energy: -118.225
flat angles C4'-P-C4' energy: -118.536
flat angles P-C4'-P energy: -86.582
tors. eta vs tors. theta energy: -168.848
Dist. restrs. and SS energy: 13.538 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -2703.833700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2703.833700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2713.783162 (E_RNA)
where:
Base-Base interactions energy: -1870.103
where: short stacking energy: -789.157
Base-Backbone interact. energy: -1.895
local terms energy: -841.784751
where:
bonds (distance) C4'-P energy: -156.964
bonds (distance) P-C4' energy: -154.177
flat angles C4'-P-C4' energy: -168.722
flat angles P-C4'-P energy: -125.238
tors. eta vs tors. theta energy: -236.684
Dist. restrs. and SS energy: 9.949 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -2636.685368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2636.685368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2641.919184 (E_RNA)
where:
Base-Base interactions energy: -1839.546
where: short stacking energy: -775.249
Base-Backbone interact. energy: -2.126
local terms energy: -800.247683
where:
bonds (distance) C4'-P energy: -135.881
bonds (distance) P-C4' energy: -144.712
flat angles C4'-P-C4' energy: -172.177
flat angles P-C4'-P energy: -114.872
tors. eta vs tors. theta energy: -232.605
Dist. restrs. and SS energy: 5.234 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -2571.473950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2571.473950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2576.229958 (E_RNA)
where:
Base-Base interactions energy: -1787.532
where: short stacking energy: -738.967
Base-Backbone interact. energy: -3.154
local terms energy: -785.544278
where:
bonds (distance) C4'-P energy: -145.513
bonds (distance) P-C4' energy: -140.386
flat angles C4'-P-C4' energy: -170.268
flat angles P-C4'-P energy: -99.023
tors. eta vs tors. theta energy: -230.355
Dist. restrs. and SS energy: 4.756 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -2516.510217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2516.510217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2528.334473 (E_RNA)
where:
Base-Base interactions energy: -1774.310
where: short stacking energy: -733.034
Base-Backbone interact. energy: -4.395
local terms energy: -749.629035
where:
bonds (distance) C4'-P energy: -130.519
bonds (distance) P-C4' energy: -137.355
flat angles C4'-P-C4' energy: -153.214
flat angles P-C4'-P energy: -95.339
tors. eta vs tors. theta energy: -233.203
Dist. restrs. and SS energy: 11.824 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -2401.823991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2401.823991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2412.927454 (E_RNA)
where:
Base-Base interactions energy: -1671.681
where: short stacking energy: -696.580
Base-Backbone interact. energy: -4.366
local terms energy: -736.880163
where:
bonds (distance) C4'-P energy: -127.525
bonds (distance) P-C4' energy: -132.837
flat angles C4'-P-C4' energy: -161.693
flat angles P-C4'-P energy: -96.695
tors. eta vs tors. theta energy: -218.130
Dist. restrs. and SS energy: 11.103 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -2312.148174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2312.148174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2322.774855 (E_RNA)
where:
Base-Base interactions energy: -1615.055
where: short stacking energy: -706.229
Base-Backbone interact. energy: -0.227
local terms energy: -707.492493
where:
bonds (distance) C4'-P energy: -136.967
bonds (distance) P-C4' energy: -125.173
flat angles C4'-P-C4' energy: -147.263
flat angles P-C4'-P energy: -98.762
tors. eta vs tors. theta energy: -199.327
Dist. restrs. and SS energy: 10.627 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -2218.208767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2218.208767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2233.590851 (E_RNA)
where:
Base-Base interactions energy: -1566.533
where: short stacking energy: -662.620
Base-Backbone interact. energy: -1.267
local terms energy: -665.790013
where:
bonds (distance) C4'-P energy: -115.374
bonds (distance) P-C4' energy: -129.943
flat angles C4'-P-C4' energy: -138.875
flat angles P-C4'-P energy: -94.726
tors. eta vs tors. theta energy: -186.874
Dist. restrs. and SS energy: 15.382 (S_DIST_RNA)
chem. 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: -2174.958493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2174.958493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2185.423563 (E_RNA)
where:
Base-Base interactions energy: -1535.603
where: short stacking energy: -623.576
Base-Backbone interact. energy: -2.831
local terms energy: -646.989579
where:
bonds (distance) C4'-P energy: -111.006
bonds (distance) P-C4' energy: -110.718
flat angles C4'-P-C4' energy: -138.806
flat angles P-C4'-P energy: -87.591
tors. eta vs tors. theta energy: -198.869
Dist. restrs. and SS energy: 10.465 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -2026.783597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2026.783597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2038.991118 (E_RNA)
where:
Base-Base interactions energy: -1440.188
where: short stacking energy: -571.845
Base-Backbone interact. energy: 4.389
local terms energy: -603.191801
where:
bonds (distance) C4'-P energy: -105.520
bonds (distance) P-C4' energy: -130.780
flat angles C4'-P-C4' energy: -130.376
flat angles P-C4'-P energy: -73.362
tors. eta vs tors. theta energy: -163.154
Dist. restrs. and SS energy: 12.208 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -1956.470507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.470507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1981.551220 (E_RNA)
where:
Base-Base interactions energy: -1377.582
where: short stacking energy: -556.148
Base-Backbone interact. energy: -2.682
local terms energy: -601.286725
where:
bonds (distance) C4'-P energy: -116.478
bonds (distance) P-C4' energy: -117.467
flat angles C4'-P-C4' energy: -121.751
flat angles P-C4'-P energy: -98.048
tors. eta vs tors. theta energy: -147.542
Dist. restrs. and SS energy: 25.081 (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: 8
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -2683.317300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2683.317300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2688.962901 (E_RNA)
where:
Base-Base interactions energy: -1882.824
where: short stacking energy: -792.041
Base-Backbone interact. energy: 0.545
local terms energy: -806.683814
where:
bonds (distance) C4'-P energy: -156.481
bonds (distance) P-C4' energy: -129.221
flat angles C4'-P-C4' energy: -173.515
flat angles P-C4'-P energy: -120.314
tors. eta vs tors. theta energy: -227.154
Dist. restrs. and SS energy: 5.646 (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: 9
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -2626.767281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2626.767281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2635.401249 (E_RNA)
where:
Base-Base interactions energy: -1847.533
where: short stacking energy: -799.623
Base-Backbone interact. energy: -2.509
local terms energy: -785.359443
where:
bonds (distance) C4'-P energy: -135.890
bonds (distance) P-C4' energy: -133.871
flat angles C4'-P-C4' energy: -170.363
flat angles P-C4'-P energy: -116.865
tors. eta vs tors. theta energy: -228.369
Dist. restrs. and SS energy: 8.634 (S_DIST_RNA)
chem. 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: -2543.510058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2543.510058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2549.872631 (E_RNA)
where:
Base-Base interactions energy: -1785.159
where: short stacking energy: -747.478
Base-Backbone interact. energy: -2.230
local terms energy: -762.483597
where:
bonds (distance) C4'-P energy: -144.423
bonds (distance) P-C4' energy: -131.816
flat angles C4'-P-C4' energy: -156.749
flat angles P-C4'-P energy: -104.105
tors. eta vs tors. theta energy: -225.391
Dist. restrs. and SS energy: 6.363 (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: 7
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -2485.098070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2485.098070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2492.390780 (E_RNA)
where:
Base-Base interactions energy: -1737.053
where: short stacking energy: -735.878
Base-Backbone interact. energy: -3.803
local terms energy: -751.534543
where:
bonds (distance) C4'-P energy: -128.273
bonds (distance) P-C4' energy: -130.603
flat angles C4'-P-C4' energy: -156.050
flat angles P-C4'-P energy: -119.787
tors. eta vs tors. theta energy: -216.822
Dist. restrs. and SS energy: 7.293 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -2400.466375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2400.466375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2410.499372 (E_RNA)
where:
Base-Base interactions energy: -1668.496
where: short stacking energy: -709.822
Base-Backbone interact. energy: -0.506
local terms energy: -741.496818
where:
bonds (distance) C4'-P energy: -127.038
bonds (distance) P-C4' energy: -137.505
flat angles C4'-P-C4' energy: -161.636
flat angles P-C4'-P energy: -110.714
tors. eta vs tors. theta energy: -204.603
Dist. restrs. and SS energy: 10.033 (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: 2
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -2336.767969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2336.767969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2343.952093 (E_RNA)
where:
Base-Base interactions energy: -1642.972
where: short stacking energy: -720.493
Base-Backbone interact. energy: -2.605
local terms energy: -698.374731
where:
bonds (distance) C4'-P energy: -118.355
bonds (distance) P-C4' energy: -124.620
flat angles C4'-P-C4' energy: -134.589
flat angles P-C4'-P energy: -95.189
tors. eta vs tors. theta energy: -225.622
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: 7, replica: 5
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -2234.917554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2234.917554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2247.654250 (E_RNA)
where:
Base-Base interactions energy: -1573.253
where: short stacking energy: -664.492
Base-Backbone interact. energy: -2.861
local terms energy: -671.540384
where:
bonds (distance) C4'-P energy: -124.982
bonds (distance) P-C4' energy: -114.804
flat angles C4'-P-C4' energy: -137.111
flat angles P-C4'-P energy: -100.959
tors. eta vs tors. theta energy: -193.684
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: 8, replica: 3
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -2230.786239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2230.786239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2249.029535 (E_RNA)
where:
Base-Base interactions energy: -1604.257
where: short stacking energy: -671.132
Base-Backbone interact. energy: -1.708
local terms energy: -643.063967
where:
bonds (distance) C4'-P energy: -110.660
bonds (distance) P-C4' energy: -100.909
flat angles C4'-P-C4' energy: -140.699
flat angles P-C4'-P energy: -87.456
tors. eta vs tors. theta energy: -203.341
Dist. restrs. and SS energy: 18.243 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -2024.077815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2024.077815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2037.855230 (E_RNA)
where:
Base-Base interactions energy: -1441.242
where: short stacking energy: -563.572
Base-Backbone interact. energy: -1.554
local terms energy: -595.058993
where:
bonds (distance) C4'-P energy: -102.714
bonds (distance) P-C4' energy: -128.987
flat angles C4'-P-C4' energy: -128.076
flat angles P-C4'-P energy: -82.492
tors. eta vs tors. theta energy: -152.790
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: 10, replica: 1
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -1951.022949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1951.022949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.151119 (E_RNA)
where:
Base-Base interactions energy: -1382.012
where: short stacking energy: -568.013
Base-Backbone interact. energy: 2.895
local terms energy: -593.033814
where:
bonds (distance) C4'-P energy: -109.293
bonds (distance) P-C4' energy: -138.970
flat angles C4'-P-C4' energy: -114.002
flat angles P-C4'-P energy: -65.212
tors. eta vs tors. theta energy: -165.556
Dist. restrs. and SS energy: 21.128 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -2689.222295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2689.222295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2695.851631 (E_RNA)
where:
Base-Base interactions energy: -1864.710
where: short stacking energy: -786.585
Base-Backbone interact. energy: -1.668
local terms energy: -829.473918
where:
bonds (distance) C4'-P energy: -150.521
bonds (distance) P-C4' energy: -144.902
flat angles C4'-P-C4' energy: -167.152
flat angles P-C4'-P energy: -118.771
tors. eta vs tors. theta energy: -248.127
Dist. restrs. and SS energy: 6.629 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -2632.176262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2632.176262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2638.689321 (E_RNA)
where:
Base-Base interactions energy: -1858.876
where: short stacking energy: -803.384
Base-Backbone interact. energy: -2.304
local terms energy: -777.509086
where:
bonds (distance) C4'-P energy: -128.761
bonds (distance) P-C4' energy: -147.579
flat angles C4'-P-C4' energy: -165.266
flat angles P-C4'-P energy: -110.180
tors. eta vs tors. theta energy: -225.723
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: 148
Temperature: 1.000000
Total energy: -2551.617782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2551.617782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2563.309549 (E_RNA)
where:
Base-Base interactions energy: -1796.740
where: short stacking energy: -764.680
Base-Backbone interact. energy: -3.117
local terms energy: -763.452241
where:
bonds (distance) C4'-P energy: -133.464
bonds (distance) P-C4' energy: -132.547
flat angles C4'-P-C4' energy: -162.179
flat angles P-C4'-P energy: -104.308
tors. eta vs tors. theta energy: -230.955
Dist. restrs. and SS energy: 11.692 (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: 7
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -2493.021905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2493.021905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2506.648700 (E_RNA)
where:
Base-Base interactions energy: -1739.638
where: short stacking energy: -747.125
Base-Backbone interact. energy: -0.236
local terms energy: -766.775091
where:
bonds (distance) C4'-P energy: -133.351
bonds (distance) P-C4' energy: -139.212
flat angles C4'-P-C4' energy: -156.701
flat angles P-C4'-P energy: -103.514
tors. eta vs tors. theta energy: -233.997
Dist. restrs. and SS energy: 13.627 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -2421.993287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2421.993287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2428.565532 (E_RNA)
where:
Base-Base interactions energy: -1726.218
where: short stacking energy: -719.235
Base-Backbone interact. energy: -2.958
local terms energy: -699.390022
where:
bonds (distance) C4'-P energy: -107.640
bonds (distance) P-C4' energy: -124.549
flat angles C4'-P-C4' energy: -167.863
flat angles P-C4'-P energy: -91.574
tors. eta vs tors. theta energy: -207.764
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: 6, replica: 2
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -2326.936816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2326.936816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2333.395782 (E_RNA)
where:
Base-Base interactions energy: -1630.429
where: short stacking energy: -680.175
Base-Backbone interact. energy: -1.841
local terms energy: -701.125415
where:
bonds (distance) C4'-P energy: -127.071
bonds (distance) P-C4' energy: -132.340
flat angles C4'-P-C4' energy: -140.201
flat angles P-C4'-P energy: -108.640
tors. eta vs tors. theta energy: -192.873
Dist. restrs. and SS energy: 6.459 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -2220.914526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2220.914526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2240.526130 (E_RNA)
where:
Base-Base interactions energy: -1572.989
where: short stacking energy: -654.652
Base-Backbone interact. energy: -2.773
local terms energy: -664.764076
where:
bonds (distance) C4'-P energy: -116.314
bonds (distance) P-C4' energy: -132.868
flat angles C4'-P-C4' energy: -142.582
flat angles P-C4'-P energy: -76.737
tors. eta vs tors. theta energy: -196.263
Dist. restrs. and SS energy: 19.612 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -2259.403392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2259.403392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2270.236119 (E_RNA)
where:
Base-Base interactions energy: -1586.492
where: short stacking energy: -665.539
Base-Backbone interact. energy: -3.126
local terms energy: -680.617535
where:
bonds (distance) C4'-P energy: -126.312
bonds (distance) P-C4' energy: -127.584
flat angles C4'-P-C4' energy: -138.473
flat angles P-C4'-P energy: -85.049
tors. eta vs tors. theta energy: -203.200
Dist. restrs. and SS energy: 10.833 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -1981.095774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1981.095774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2004.820744 (E_RNA)
where:
Base-Base interactions energy: -1430.917
where: short stacking energy: -580.909
Base-Backbone interact. energy: -0.521
local terms energy: -573.382101
where:
bonds (distance) C4'-P energy: -108.479
bonds (distance) P-C4' energy: -121.781
flat angles C4'-P-C4' energy: -116.794
flat angles P-C4'-P energy: -71.888
tors. eta vs tors. theta energy: -154.440
Dist. restrs. and SS energy: 23.725 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -1935.719095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1935.719095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1954.132597 (E_RNA)
where:
Base-Base interactions energy: -1362.455
where: short stacking energy: -534.241
Base-Backbone interact. energy: 0.708
local terms energy: -592.384884
where:
bonds (distance) C4'-P energy: -89.165
bonds (distance) P-C4' energy: -136.542
flat angles C4'-P-C4' energy: -139.823
flat angles P-C4'-P energy: -77.198
tors. eta vs tors. theta energy: -149.657
Dist. restrs. and SS energy: 18.414 (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: 8
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -2710.484755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2710.484755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2714.504970 (E_RNA)
where:
Base-Base interactions energy: -1932.801
where: short stacking energy: -828.146
Base-Backbone interact. energy: -2.232
local terms energy: -779.472347
where:
bonds (distance) C4'-P energy: -138.508
bonds (distance) P-C4' energy: -124.178
flat angles C4'-P-C4' energy: -158.654
flat angles P-C4'-P energy: -119.232
tors. eta vs tors. theta energy: -238.901
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: 2, replica: 9
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -2636.484554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2636.484554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2641.593411 (E_RNA)
where:
Base-Base interactions energy: -1860.216
where: short stacking energy: -769.286
Base-Backbone interact. energy: -3.464
local terms energy: -777.913194
where:
bonds (distance) C4'-P energy: -147.783
bonds (distance) P-C4' energy: -148.362
flat angles C4'-P-C4' energy: -162.259
flat angles P-C4'-P energy: -104.908
tors. eta vs tors. theta energy: -214.601
Dist. restrs. and SS energy: 5.109 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -2523.587926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2523.587926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2528.966586 (E_RNA)
where:
Base-Base interactions energy: -1779.253
where: short stacking energy: -758.087
Base-Backbone interact. energy: -3.724
local terms energy: -745.989632
where:
bonds (distance) C4'-P energy: -129.080
bonds (distance) P-C4' energy: -129.178
flat angles C4'-P-C4' energy: -156.816
flat angles P-C4'-P energy: -106.408
tors. eta vs tors. theta energy: -224.508
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: 4, replica: 7
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -2468.928938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2468.928938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2483.129739 (E_RNA)
where:
Base-Base interactions energy: -1755.239
where: short stacking energy: -771.141
Base-Backbone interact. energy: -1.258
local terms energy: -726.633101
where:
bonds (distance) C4'-P energy: -121.067
bonds (distance) P-C4' energy: -125.638
flat angles C4'-P-C4' energy: -156.776
flat angles P-C4'-P energy: -103.145
tors. eta vs tors. theta energy: -220.007
Dist. restrs. and SS energy: 14.201 (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: 4
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -2387.844548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2387.844548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2396.716698 (E_RNA)
where:
Base-Base interactions energy: -1688.818
where: short stacking energy: -722.247
Base-Backbone interact. energy: -4.113
local terms energy: -703.785700
where:
bonds (distance) C4'-P energy: -120.233
bonds (distance) P-C4' energy: -117.325
flat angles C4'-P-C4' energy: -164.615
flat angles P-C4'-P energy: -80.995
tors. eta vs tors. theta energy: -220.618
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: 6, replica: 2
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -2321.193845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2321.193845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2330.620743 (E_RNA)
where:
Base-Base interactions energy: -1638.545
where: short stacking energy: -688.055
Base-Backbone interact. energy: -0.322
local terms energy: -691.753774
where:
bonds (distance) C4'-P energy: -118.777
bonds (distance) P-C4' energy: -127.235
flat angles C4'-P-C4' energy: -148.773
flat angles P-C4'-P energy: -85.728
tors. eta vs tors. theta energy: -211.240
Dist. restrs. and SS energy: 9.427 (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: 149
Temperature: 1.200000
Total energy: -2269.260625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2269.260625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2290.580896 (E_RNA)
where:
Base-Base interactions energy: -1586.581
where: short stacking energy: -672.907
Base-Backbone interact. energy: 0.377
local terms energy: -704.377387
where:
bonds (distance) C4'-P energy: -122.293
bonds (distance) P-C4' energy: -115.068
flat angles C4'-P-C4' energy: -146.005
flat angles P-C4'-P energy: -109.932
tors. eta vs tors. theta energy: -211.080
Dist. restrs. and SS energy: 21.320 (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: 3
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -2195.865807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2195.865807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2202.142785 (E_RNA)
where:
Base-Base interactions energy: -1581.467
where: short stacking energy: -652.856
Base-Backbone interact. energy: 1.639
local terms energy: -622.315251
where:
bonds (distance) C4'-P energy: -103.132
bonds (distance) P-C4' energy: -122.626
flat angles C4'-P-C4' energy: -134.745
flat angles P-C4'-P energy: -75.183
tors. eta vs tors. theta energy: -186.630
Dist. restrs. and SS energy: 6.277 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -2035.377251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2035.377251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2056.142920 (E_RNA)
where:
Base-Base interactions energy: -1453.123
where: short stacking energy: -599.394
Base-Backbone interact. energy: -3.436
local terms energy: -599.583798
where:
bonds (distance) C4'-P energy: -111.648
bonds (distance) P-C4' energy: -107.336
flat angles C4'-P-C4' energy: -130.192
flat angles P-C4'-P energy: -71.014
tors. eta vs tors. theta energy: -179.393
Dist. restrs. and SS energy: 20.766 (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: 6
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -1862.805801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1862.805801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1882.347667 (E_RNA)
where:
Base-Base interactions energy: -1330.235
where: short stacking energy: -536.446
Base-Backbone interact. energy: 6.556
local terms energy: -558.667865
where:
bonds (distance) C4'-P energy: -125.239
bonds (distance) P-C4' energy: -92.303
flat angles C4'-P-C4' energy: -119.893
flat angles P-C4'-P energy: -68.348
tors. eta vs tors. theta energy: -152.885
Dist. restrs. and SS energy: 19.542 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -2715.864080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2715.864080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2718.865158 (E_RNA)
where:
Base-Base interactions energy: -1900.435
where: short stacking energy: -798.768
Base-Backbone interact. energy: -1.530
local terms energy: -816.899553
where:
bonds (distance) C4'-P energy: -143.022
bonds (distance) P-C4' energy: -145.957
flat angles C4'-P-C4' energy: -169.007
flat angles P-C4'-P energy: -119.155
tors. eta vs tors. theta energy: -239.759
Dist. restrs. and SS energy: 3.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -2616.840819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2616.840819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2620.776420 (E_RNA)
where:
Base-Base interactions energy: -1842.386
where: short stacking energy: -763.042
Base-Backbone interact. energy: -3.056
local terms energy: -775.334100
where:
bonds (distance) C4'-P energy: -123.934
bonds (distance) P-C4' energy: -143.690
flat angles C4'-P-C4' energy: -158.786
flat angles P-C4'-P energy: -123.214
tors. eta vs tors. theta energy: -225.710
Dist. restrs. and SS energy: 3.936 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -2551.466364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2551.466364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2557.600821 (E_RNA)
where:
Base-Base interactions energy: -1790.071
where: short stacking energy: -769.589
Base-Backbone interact. energy: -1.767
local terms energy: -765.762240
where:
bonds (distance) C4'-P energy: -131.424
bonds (distance) P-C4' energy: -135.308
flat angles C4'-P-C4' energy: -168.455
flat angles P-C4'-P energy: -105.335
tors. eta vs tors. theta energy: -225.240
Dist. restrs. and SS energy: 6.134 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -2522.596278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2522.596278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2533.184986 (E_RNA)
where:
Base-Base interactions energy: -1768.777
where: short stacking energy: -748.771
Base-Backbone interact. energy: -1.670
local terms energy: -762.737962
where:
bonds (distance) C4'-P energy: -137.371
bonds (distance) P-C4' energy: -139.139
flat angles C4'-P-C4' energy: -153.403
flat angles P-C4'-P energy: -105.777
tors. eta vs tors. theta energy: -227.047
Dist. restrs. and SS energy: 10.589 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -2393.796664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2393.796664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2407.082025 (E_RNA)
where:
Base-Base interactions energy: -1679.005
where: short stacking energy: -714.717
Base-Backbone interact. energy: -3.281
local terms energy: -724.796354
where:
bonds (distance) C4'-P energy: -117.583
bonds (distance) P-C4' energy: -140.077
flat angles C4'-P-C4' energy: -154.304
flat angles P-C4'-P energy: -104.992
tors. eta vs tors. theta energy: -207.840
Dist. restrs. and SS energy: 13.285 (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: 2
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -2342.522286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2342.522286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2352.275015 (E_RNA)
where:
Base-Base interactions energy: -1636.602
where: short stacking energy: -680.374
Base-Backbone interact. energy: 5.661
local terms energy: -721.334141
where:
bonds (distance) C4'-P energy: -133.755
bonds (distance) P-C4' energy: -130.149
flat angles C4'-P-C4' energy: -146.249
flat angles P-C4'-P energy: -115.879
tors. eta vs tors. theta energy: -195.302
Dist. restrs. and SS energy: 9.753 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -2312.462654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2312.462654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2322.142160 (E_RNA)
where:
Base-Base interactions energy: -1616.833
where: short stacking energy: -681.820
Base-Backbone interact. energy: -3.159
local terms energy: -702.150187
where:
bonds (distance) C4'-P energy: -114.749
bonds (distance) P-C4' energy: -136.802
flat angles C4'-P-C4' energy: -155.970
flat angles P-C4'-P energy: -87.986
tors. eta vs tors. theta energy: -206.644
Dist. restrs. and SS energy: 9.680 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -2196.235382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2196.235382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2210.845918 (E_RNA)
where:
Base-Base interactions energy: -1543.936
where: short stacking energy: -638.416
Base-Backbone interact. energy: -3.251
local terms energy: -663.658891
where:
bonds (distance) C4'-P energy: -113.585
bonds (distance) P-C4' energy: -121.090
flat angles C4'-P-C4' energy: -156.149
flat angles P-C4'-P energy: -71.779
tors. eta vs tors. theta energy: -201.056
Dist. restrs. and SS energy: 14.611 (S_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: 150
Temperature: 1.300000
Total energy: -2034.630478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2034.630478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2050.531254 (E_RNA)
where:
Base-Base interactions energy: -1461.412
where: short stacking energy: -579.419
Base-Backbone interact. energy: -2.944
local terms energy: -586.175334
where:
bonds (distance) C4'-P energy: -115.473
bonds (distance) P-C4' energy: -108.957
flat angles C4'-P-C4' energy: -131.939
flat angles P-C4'-P energy: -78.329
tors. eta vs tors. theta energy: -151.477
Dist. restrs. and SS energy: 15.901 (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: 6
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -1906.350232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.350232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.335825 (E_RNA)
where:
Base-Base interactions energy: -1369.280
where: short stacking energy: -529.301
Base-Backbone interact. energy: -2.009
local terms energy: -553.046677
where:
bonds (distance) C4'-P energy: -122.236
bonds (distance) P-C4' energy: -108.697
flat angles C4'-P-C4' energy: -97.284
flat angles P-C4'-P energy: -90.967
tors. eta vs tors. theta energy: -133.863
Dist. restrs. and SS energy: 17.986 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -2713.184120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2713.184120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2716.669429 (E_RNA)
where:
Base-Base interactions energy: -1881.735
where: short stacking energy: -821.736
Base-Backbone interact. energy: -4.527
local terms energy: -830.407807
where:
bonds (distance) C4'-P energy: -142.427
bonds (distance) P-C4' energy: -143.149
flat angles C4'-P-C4' energy: -168.091
flat angles P-C4'-P energy: -130.560
tors. eta vs tors. theta energy: -246.181
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: 2, replica: 9
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -2616.267194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2616.267194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2621.986170 (E_RNA)
where:
Base-Base interactions energy: -1848.677
where: short stacking energy: -756.088
Base-Backbone interact. energy: 0.839
local terms energy: -774.148523
where:
bonds (distance) C4'-P energy: -148.348
bonds (distance) P-C4' energy: -143.694
flat angles C4'-P-C4' energy: -153.197
flat angles P-C4'-P energy: -119.018
tors. eta vs tors. theta energy: -209.892
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: 3, replica: 10
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -2592.573601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2592.573601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2600.838367 (E_RNA)
where:
Base-Base interactions energy: -1817.512
where: short stacking energy: -763.898
Base-Backbone interact. energy: -3.048
local terms energy: -780.278537
where:
bonds (distance) C4'-P energy: -140.946
bonds (distance) P-C4' energy: -128.478
flat angles C4'-P-C4' energy: -162.667
flat angles P-C4'-P energy: -114.008
tors. eta vs tors. theta energy: -234.179
Dist. restrs. and SS energy: 8.265 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -2458.432421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2458.432421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2469.942677 (E_RNA)
where:
Base-Base interactions energy: -1750.281
where: short stacking energy: -748.747
Base-Backbone interact. energy: -0.158
local terms energy: -719.503911
where:
bonds (distance) C4'-P energy: -120.967
bonds (distance) P-C4' energy: -127.040
flat angles C4'-P-C4' energy: -151.405
flat angles P-C4'-P energy: -93.639
tors. eta vs tors. theta energy: -226.454
Dist. restrs. and SS energy: 11.510 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -2409.972750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2409.972750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2424.436474 (E_RNA)
where:
Base-Base interactions energy: -1707.468
where: short stacking energy: -699.072
Base-Backbone interact. energy: -3.009
local terms energy: -713.959841
where:
bonds (distance) C4'-P energy: -134.493
bonds (distance) P-C4' energy: -122.179
flat angles C4'-P-C4' energy: -155.093
flat angles P-C4'-P energy: -86.661
tors. eta vs tors. theta energy: -215.534
Dist. restrs. and SS energy: 14.464 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -2375.323102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2375.323102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2383.859190 (E_RNA)
where:
Base-Base interactions energy: -1639.728
where: short stacking energy: -716.492
Base-Backbone interact. energy: 0.348
local terms energy: -744.479029
where:
bonds (distance) C4'-P energy: -116.487
bonds (distance) P-C4' energy: -142.492
flat angles C4'-P-C4' energy: -162.188
flat angles P-C4'-P energy: -99.759
tors. eta vs tors. theta energy: -223.554
Dist. restrs. and SS energy: 8.536 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -2281.489882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2281.489882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2285.516921 (E_RNA)
where:
Base-Base interactions energy: -1626.599
where: short stacking energy: -681.439
Base-Backbone interact. energy: -0.526
local terms energy: -658.392130
where:
bonds (distance) C4'-P energy: -100.391
bonds (distance) P-C4' energy: -103.447
flat angles C4'-P-C4' energy: -148.258
flat angles P-C4'-P energy: -101.155
tors. eta vs tors. theta energy: -205.142
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: 8, replica: 5
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -2167.252176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2167.252176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2182.746912 (E_RNA)
where:
Base-Base interactions energy: -1553.964
where: short stacking energy: -639.692
Base-Backbone interact. energy: -2.659
local terms energy: -626.123330
where:
bonds (distance) C4'-P energy: -108.453
bonds (distance) P-C4' energy: -121.789
flat angles C4'-P-C4' energy: -134.614
flat angles P-C4'-P energy: -77.808
tors. eta vs tors. theta energy: -183.460
Dist. restrs. and SS energy: 15.495 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -1976.973406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1976.973406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1997.632660 (E_RNA)
where:
Base-Base interactions energy: -1386.389
where: short stacking energy: -566.793
Base-Backbone interact. energy: -0.558
local terms energy: -610.686211
where:
bonds (distance) C4'-P energy: -106.177
bonds (distance) P-C4' energy: -111.989
flat angles C4'-P-C4' energy: -138.324
flat angles P-C4'-P energy: -84.643
tors. eta vs tors. theta energy: -169.553
Dist. restrs. and SS energy: 20.659 (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: 6
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -1949.402141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.402141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.931000 (E_RNA)
where:
Base-Base interactions energy: -1370.429
where: short stacking energy: -546.602
Base-Backbone interact. energy: -0.270
local terms energy: -590.231882
where:
bonds (distance) C4'-P energy: -113.443
bonds (distance) P-C4' energy: -124.642
flat angles C4'-P-C4' energy: -124.863
flat angles P-C4'-P energy: -68.986
tors. eta vs tors. theta energy: -158.297
Dist. restrs. and SS energy: 11.529 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -2710.177484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2710.177484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2713.190390 (E_RNA)
where:
Base-Base interactions energy: -1894.243
where: short stacking energy: -820.226
Base-Backbone interact. energy: -3.195
local terms energy: -815.752195
where:
bonds (distance) C4'-P energy: -163.607
bonds (distance) P-C4' energy: -145.349
flat angles C4'-P-C4' energy: -159.171
flat angles P-C4'-P energy: -109.013
tors. eta vs tors. theta energy: -238.613
Dist. restrs. and SS energy: 3.013 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -2628.562119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2628.562119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2637.624118 (E_RNA)
where:
Base-Base interactions energy: -1846.626
where: short stacking energy: -790.880
Base-Backbone interact. energy: -0.601
local terms energy: -790.396938
where:
bonds (distance) C4'-P energy: -136.905
bonds (distance) P-C4' energy: -146.196
flat angles C4'-P-C4' energy: -163.341
flat angles P-C4'-P energy: -111.540
tors. eta vs tors. theta energy: -232.415
Dist. restrs. and SS energy: 9.062 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -2596.315197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2596.315197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2605.743141 (E_RNA)
where:
Base-Base interactions energy: -1792.209
where: short stacking energy: -753.331
Base-Backbone interact. energy: -3.538
local terms energy: -809.995971
where:
bonds (distance) C4'-P energy: -141.684
bonds (distance) P-C4' energy: -132.903
flat angles C4'-P-C4' energy: -175.206
flat angles P-C4'-P energy: -111.166
tors. eta vs tors. theta energy: -249.037
Dist. restrs. and SS energy: 9.428 (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: 7
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -2491.422748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2491.422748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2510.221177 (E_RNA)
where:
Base-Base interactions energy: -1750.957
where: short stacking energy: -740.441
Base-Backbone interact. energy: -3.543
local terms energy: -755.721726
where:
bonds (distance) C4'-P energy: -133.230
bonds (distance) P-C4' energy: -141.434
flat angles C4'-P-C4' energy: -155.438
flat angles P-C4'-P energy: -103.669
tors. eta vs tors. theta energy: -221.952
Dist. restrs. and SS energy: 18.798 (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: 4
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -2417.298715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2417.298715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2430.249535 (E_RNA)
where:
Base-Base interactions energy: -1702.993
where: short stacking energy: -735.702
Base-Backbone interact. energy: 0.612
local terms energy: -727.868342
where:
bonds (distance) C4'-P energy: -124.902
bonds (distance) P-C4' energy: -122.066
flat angles C4'-P-C4' energy: -150.176
flat angles P-C4'-P energy: -109.170
tors. eta vs tors. theta energy: -221.554
Dist. restrs. and SS energy: 12.951 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -2390.802601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2390.802601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2396.726977 (E_RNA)
where:
Base-Base interactions energy: -1672.640
where: short stacking energy: -713.482
Base-Backbone interact. energy: -3.049
local terms energy: -721.038697
where:
bonds (distance) C4'-P energy: -121.363
bonds (distance) P-C4' energy: -135.997
flat angles C4'-P-C4' energy: -160.826
flat angles P-C4'-P energy: -91.010
tors. eta vs tors. theta energy: -211.843
Dist. restrs. and SS energy: 5.924 (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: 5
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -2245.317067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2245.317067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2256.555985 (E_RNA)
where:
Base-Base interactions energy: -1559.708
where: short stacking energy: -655.824
Base-Backbone interact. energy: -1.587
local terms energy: -695.260211
where:
bonds (distance) C4'-P energy: -137.803
bonds (distance) P-C4' energy: -130.618
flat angles C4'-P-C4' energy: -143.307
flat angles P-C4'-P energy: -96.317
tors. eta vs tors. theta energy: -187.216
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: 8, replica: 2
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -2193.846062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2193.846062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2205.327879 (E_RNA)
where:
Base-Base interactions energy: -1559.732
where: short stacking energy: -663.795
Base-Backbone interact. energy: -2.393
local terms energy: -643.203094
where:
bonds (distance) C4'-P energy: -101.732
bonds (distance) P-C4' energy: -123.279
flat angles C4'-P-C4' energy: -136.588
flat angles P-C4'-P energy: -88.671
tors. eta vs tors. theta energy: -192.933
Dist. restrs. and SS energy: 11.482 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -2021.003297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2021.003297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2043.452939 (E_RNA)
where:
Base-Base interactions energy: -1437.815
where: short stacking energy: -591.409
Base-Backbone interact. energy: 1.578
local terms energy: -607.216367
where:
bonds (distance) C4'-P energy: -123.242
bonds (distance) P-C4' energy: -106.325
flat angles C4'-P-C4' energy: -141.304
flat angles P-C4'-P energy: -84.946
tors. eta vs tors. theta energy: -151.399
Dist. restrs. and SS energy: 22.450 (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: 6
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -1915.271769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1915.271769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.256939 (E_RNA)
where:
Base-Base interactions energy: -1347.679
where: short stacking energy: -539.027
Base-Backbone interact. energy: 1.165
local terms energy: -585.742734
where:
bonds (distance) C4'-P energy: -123.237
bonds (distance) P-C4' energy: -115.168
flat angles C4'-P-C4' energy: -125.742
flat angles P-C4'-P energy: -71.375
tors. eta vs tors. theta energy: -150.221
Dist. restrs. and SS energy: 16.985 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -2727.504402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2727.504402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2730.225449 (E_RNA)
where:
Base-Base interactions energy: -1896.508
where: short stacking energy: -826.064
Base-Backbone interact. energy: -4.259
local terms energy: -829.458645
where:
bonds (distance) C4'-P energy: -131.196
bonds (distance) P-C4' energy: -153.714
flat angles C4'-P-C4' energy: -176.065
flat angles P-C4'-P energy: -128.638
tors. eta vs tors. theta energy: -239.845
Dist. restrs. and SS energy: 2.721 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -2613.375436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2613.375436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2618.705247 (E_RNA)
where:
Base-Base interactions energy: -1837.411
where: short stacking energy: -766.262
Base-Backbone interact. energy: -3.804
local terms energy: -777.491089
where:
bonds (distance) C4'-P energy: -146.305
bonds (distance) P-C4' energy: -135.582
flat angles C4'-P-C4' energy: -167.140
flat angles P-C4'-P energy: -107.124
tors. eta vs tors. theta energy: -221.340
Dist. restrs. and SS energy: 5.330 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -2586.485401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2586.485401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2594.561765 (E_RNA)
where:
Base-Base interactions energy: -1817.283
where: short stacking energy: -740.536
Base-Backbone interact. energy: -4.472
local terms energy: -772.806763
where:
bonds (distance) C4'-P energy: -144.364
bonds (distance) P-C4' energy: -121.798
flat angles C4'-P-C4' energy: -161.278
flat angles P-C4'-P energy: -103.883
tors. eta vs tors. theta energy: -241.484
Dist. restrs. and SS energy: 8.076 (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: 7
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -2525.538878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2525.538878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2541.213234 (E_RNA)
where:
Base-Base interactions energy: -1784.298
where: short stacking energy: -745.026
Base-Backbone interact. energy: -7.726
local terms energy: -749.189005
where:
bonds (distance) C4'-P energy: -118.033
bonds (distance) P-C4' energy: -146.471
flat angles C4'-P-C4' energy: -163.979
flat angles P-C4'-P energy: -96.948
tors. eta vs tors. theta energy: -223.759
Dist. restrs. and SS energy: 15.674 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -2455.787062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2455.787062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2466.584071 (E_RNA)
where:
Base-Base interactions energy: -1730.746
where: short stacking energy: -725.121
Base-Backbone interact. energy: -2.316
local terms energy: -733.522292
where:
bonds (distance) C4'-P energy: -127.902
bonds (distance) P-C4' energy: -142.325
flat angles C4'-P-C4' energy: -156.932
flat angles P-C4'-P energy: -88.076
tors. eta vs tors. theta energy: -218.287
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: 3
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -2381.665515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2381.665515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2388.878989 (E_RNA)
where:
Base-Base interactions energy: -1662.546
where: short stacking energy: -711.235
Base-Backbone interact. energy: -4.661
local terms energy: -721.671634
where:
bonds (distance) C4'-P energy: -124.345
bonds (distance) P-C4' energy: -126.552
flat angles C4'-P-C4' energy: -153.880
flat angles P-C4'-P energy: -109.364
tors. eta vs tors. theta energy: -207.530
Dist. restrs. and SS energy: 7.213 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -2243.187716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2243.187716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2251.467718 (E_RNA)
where:
Base-Base interactions energy: -1578.303
where: short stacking energy: -678.083
Base-Backbone interact. energy: -2.620
local terms energy: -670.544414
where:
bonds (distance) C4'-P energy: -116.213
bonds (distance) P-C4' energy: -124.196
flat angles C4'-P-C4' energy: -143.237
flat angles P-C4'-P energy: -98.029
tors. eta vs tors. theta energy: -188.869
Dist. restrs. and SS energy: 8.280 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -2168.647405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2168.647405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2181.631582 (E_RNA)
where:
Base-Base interactions energy: -1526.571
where: short stacking energy: -644.199
Base-Backbone interact. energy: -1.835
local terms energy: -653.225350
where:
bonds (distance) C4'-P energy: -128.895
bonds (distance) P-C4' energy: -130.200
flat angles C4'-P-C4' energy: -133.534
flat angles P-C4'-P energy: -77.085
tors. eta vs tors. theta energy: -183.511
Dist. restrs. and SS energy: 12.984 (S_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: 153
Temperature: 1.300000
Total energy: -2085.318627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2085.318627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2107.506552 (E_RNA)
where:
Base-Base interactions energy: -1476.268
where: short stacking energy: -600.765
Base-Backbone interact. energy: -2.232
local terms energy: -629.005914
where:
bonds (distance) C4'-P energy: -108.308
bonds (distance) P-C4' energy: -116.240
flat angles C4'-P-C4' energy: -142.555
flat angles P-C4'-P energy: -94.317
tors. eta vs tors. theta energy: -167.586
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: 10, replica: 6
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -1895.388499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1895.388499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.423186 (E_RNA)
where:
Base-Base interactions energy: -1359.113
where: short stacking energy: -550.028
Base-Backbone interact. energy: 2.143
local terms energy: -559.453288
where:
bonds (distance) C4'-P energy: -96.495
bonds (distance) P-C4' energy: -115.043
flat angles C4'-P-C4' energy: -119.061
flat angles P-C4'-P energy: -80.622
tors. eta vs tors. theta energy: -148.233
Dist. restrs. and SS energy: 21.035 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -2723.612632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2723.612632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2727.898178 (E_RNA)
where:
Base-Base interactions energy: -1903.390
where: short stacking energy: -806.510
Base-Backbone interact. energy: -4.018
local terms energy: -820.490267
where:
bonds (distance) C4'-P energy: -144.912
bonds (distance) P-C4' energy: -157.671
flat angles C4'-P-C4' energy: -166.649
flat angles P-C4'-P energy: -113.561
tors. eta vs tors. theta energy: -237.697
Dist. restrs. and SS energy: 4.286 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -2628.025735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2628.025735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2634.813050 (E_RNA)
where:
Base-Base interactions energy: -1841.230
where: short stacking energy: -789.947
Base-Backbone interact. energy: -0.253
local terms energy: -793.329423
where:
bonds (distance) C4'-P energy: -138.130
bonds (distance) P-C4' energy: -150.091
flat angles C4'-P-C4' energy: -164.780
flat angles P-C4'-P energy: -112.891
tors. eta vs tors. theta energy: -227.438
Dist. restrs. and SS energy: 6.787 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -2615.161481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2615.161481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2621.296093 (E_RNA)
where:
Base-Base interactions energy: -1837.228
where: short stacking energy: -778.535
Base-Backbone interact. energy: -3.322
local terms energy: -780.746080
where:
bonds (distance) C4'-P energy: -148.297
bonds (distance) P-C4' energy: -129.956
flat angles C4'-P-C4' energy: -156.208
flat angles P-C4'-P energy: -107.263
tors. eta vs tors. theta energy: -239.023
Dist. restrs. and SS energy: 6.135 (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: 7
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -2484.720937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2484.720937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2494.273678 (E_RNA)
where:
Base-Base interactions energy: -1767.094
where: short stacking energy: -732.870
Base-Backbone interact. energy: 0.473
local terms energy: -727.652384
where:
bonds (distance) C4'-P energy: -111.114
bonds (distance) P-C4' energy: -125.202
flat angles C4'-P-C4' energy: -152.707
flat angles P-C4'-P energy: -104.814
tors. eta vs tors. theta energy: -233.815
Dist. restrs. and SS energy: 9.553 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -2416.252564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2416.252564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2429.989121 (E_RNA)
where:
Base-Base interactions energy: -1719.699
where: short stacking energy: -725.089
Base-Backbone interact. energy: -1.001
local terms energy: -709.288595
where:
bonds (distance) C4'-P energy: -126.364
bonds (distance) P-C4' energy: -114.491
flat angles C4'-P-C4' energy: -146.340
flat angles P-C4'-P energy: -99.416
tors. eta vs tors. theta energy: -222.678
Dist. restrs. and SS energy: 13.737 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -2344.959927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2344.959927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2352.445811 (E_RNA)
where:
Base-Base interactions energy: -1633.434
where: short stacking energy: -695.700
Base-Backbone interact. energy: -3.556
local terms energy: -715.455173
where:
bonds (distance) C4'-P energy: -121.374
bonds (distance) P-C4' energy: -136.985
flat angles C4'-P-C4' energy: -139.114
flat angles P-C4'-P energy: -108.254
tors. eta vs tors. theta energy: -209.727
Dist. restrs. and SS energy: 7.486 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -2214.419387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2214.419387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2226.652051 (E_RNA)
where:
Base-Base interactions energy: -1581.640
where: short stacking energy: -655.464
Base-Backbone interact. energy: -2.921
local terms energy: -642.091517
where:
bonds (distance) C4'-P energy: -117.060
bonds (distance) P-C4' energy: -114.085
flat angles C4'-P-C4' energy: -127.516
flat angles P-C4'-P energy: -95.203
tors. eta vs tors. theta energy: -188.227
Dist. restrs. and SS energy: 12.233 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -2203.042996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2203.042996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2213.881695 (E_RNA)
where:
Base-Base interactions energy: -1571.652
where: short stacking energy: -670.695
Base-Backbone interact. energy: -2.157
local terms energy: -640.073090
where:
bonds (distance) C4'-P energy: -108.079
bonds (distance) P-C4' energy: -108.354
flat angles C4'-P-C4' energy: -142.647
flat angles P-C4'-P energy: -83.742
tors. eta vs tors. theta energy: -197.252
Dist. restrs. and SS energy: 10.839 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -1993.072805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1993.072805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2017.446744 (E_RNA)
where:
Base-Base interactions energy: -1419.196
where: short stacking energy: -586.950
Base-Backbone interact. energy: -1.195
local terms energy: -597.055844
where:
bonds (distance) C4'-P energy: -91.249
bonds (distance) P-C4' energy: -116.694
flat angles C4'-P-C4' energy: -151.709
flat angles P-C4'-P energy: -84.800
tors. eta vs tors. theta energy: -152.605
Dist. restrs. and SS energy: 24.374 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -1906.344982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.344982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.989566 (E_RNA)
where:
Base-Base interactions energy: -1379.403
where: short stacking energy: -569.719
Base-Backbone interact. energy: -2.270
local terms energy: -550.315983
where:
bonds (distance) C4'-P energy: -103.856
bonds (distance) P-C4' energy: -82.734
flat angles C4'-P-C4' energy: -126.562
flat angles P-C4'-P energy: -73.999
tors. eta vs tors. theta energy: -163.165
Dist. restrs. and SS energy: 25.645 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -2710.109263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2710.109263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2713.198896 (E_RNA)
where:
Base-Base interactions energy: -1864.855
where: short stacking energy: -788.615
Base-Backbone interact. energy: -2.909
local terms energy: -845.434501
where:
bonds (distance) C4'-P energy: -145.836
bonds (distance) P-C4' energy: -152.755
flat angles C4'-P-C4' energy: -178.869
flat angles P-C4'-P energy: -122.508
tors. eta vs tors. theta energy: -245.466
Dist. restrs. and SS energy: 3.090 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -2620.763994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2620.763994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2628.286248 (E_RNA)
where:
Base-Base interactions energy: -1819.421
where: short stacking energy: -760.825
Base-Backbone interact. energy: -3.447
local terms energy: -805.418287
where:
bonds (distance) C4'-P energy: -146.685
bonds (distance) P-C4' energy: -164.481
flat angles C4'-P-C4' energy: -164.192
flat angles P-C4'-P energy: -103.381
tors. eta vs tors. theta energy: -226.680
Dist. restrs. and SS energy: 7.522 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -2572.819802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2572.819802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2582.287616 (E_RNA)
where:
Base-Base interactions energy: -1818.192
where: short stacking energy: -755.290
Base-Backbone interact. energy: -4.947
local terms energy: -759.148889
where:
bonds (distance) C4'-P energy: -153.560
bonds (distance) P-C4' energy: -136.344
flat angles C4'-P-C4' energy: -151.859
flat angles P-C4'-P energy: -99.419
tors. eta vs tors. theta energy: -217.968
Dist. restrs. and SS energy: 9.468 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -2481.556217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2481.556217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2492.869905 (E_RNA)
where:
Base-Base interactions energy: -1745.493
where: short stacking energy: -755.140
Base-Backbone interact. energy: 0.262
local terms energy: -747.638966
where:
bonds (distance) C4'-P energy: -144.562
bonds (distance) P-C4' energy: -130.651
flat angles C4'-P-C4' energy: -152.986
flat angles P-C4'-P energy: -90.009
tors. eta vs tors. theta energy: -229.431
Dist. restrs. and SS energy: 11.314 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -2470.171635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2470.171635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2485.114980 (E_RNA)
where:
Base-Base interactions energy: -1751.735
where: short stacking energy: -737.959
Base-Backbone interact. energy: -2.265
local terms energy: -731.114808
where:
bonds (distance) C4'-P energy: -135.912
bonds (distance) P-C4' energy: -134.511
flat angles C4'-P-C4' energy: -150.241
flat angles P-C4'-P energy: -96.399
tors. eta vs tors. theta energy: -214.052
Dist. restrs. and SS energy: 14.943 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -2345.707502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2345.707502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2354.484044 (E_RNA)
where:
Base-Base interactions energy: -1638.674
where: short stacking energy: -676.045
Base-Backbone interact. energy: 1.160
local terms energy: -716.969800
where:
bonds (distance) C4'-P energy: -119.863
bonds (distance) P-C4' energy: -140.668
flat angles C4'-P-C4' energy: -146.428
flat angles P-C4'-P energy: -95.721
tors. eta vs tors. theta energy: -214.289
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: 7, replica: 2
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -2217.269238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2217.269238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2225.527824 (E_RNA)
where:
Base-Base interactions energy: -1543.970
where: short stacking energy: -645.685
Base-Backbone interact. energy: 3.371
local terms energy: -684.929072
where:
bonds (distance) C4'-P energy: -134.637
bonds (distance) P-C4' energy: -129.716
flat angles C4'-P-C4' energy: -142.948
flat angles P-C4'-P energy: -81.418
tors. eta vs tors. theta energy: -196.209
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: 8, replica: 5
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -2197.172016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2197.172016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2205.266708 (E_RNA)
where:
Base-Base interactions energy: -1542.815
where: short stacking energy: -638.955
Base-Backbone interact. energy: -1.855
local terms energy: -660.597331
where:
bonds (distance) C4'-P energy: -110.632
bonds (distance) P-C4' energy: -120.444
flat angles C4'-P-C4' energy: -156.422
flat angles P-C4'-P energy: -81.693
tors. eta vs tors. theta energy: -191.407
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: 9, replica: 1
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -2057.903046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2057.903046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2082.973186 (E_RNA)
where:
Base-Base interactions energy: -1460.220
where: short stacking energy: -607.706
Base-Backbone interact. energy: -2.667
local terms energy: -620.085921
where:
bonds (distance) C4'-P energy: -118.655
bonds (distance) P-C4' energy: -110.692
flat angles C4'-P-C4' energy: -128.788
flat angles P-C4'-P energy: -86.835
tors. eta vs tors. theta energy: -175.116
Dist. restrs. and SS energy: 25.070 (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: 6
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -1947.838772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1947.838772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1967.637118 (E_RNA)
where:
Base-Base interactions energy: -1363.039
where: short stacking energy: -574.721
Base-Backbone interact. energy: -0.853
local terms energy: -603.745336
where:
bonds (distance) C4'-P energy: -91.130
bonds (distance) P-C4' energy: -121.701
flat angles C4'-P-C4' energy: -133.471
flat angles P-C4'-P energy: -87.717
tors. eta vs tors. theta energy: -169.725
Dist. restrs. and SS energy: 19.798 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -2689.773084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2689.773084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2692.859921 (E_RNA)
where:
Base-Base interactions energy: -1866.854
where: short stacking energy: -801.566
Base-Backbone interact. energy: -1.037
local terms energy: -824.969025
where:
bonds (distance) C4'-P energy: -160.672
bonds (distance) P-C4' energy: -132.995
flat angles C4'-P-C4' energy: -166.610
flat angles P-C4'-P energy: -123.618
tors. eta vs tors. theta energy: -241.074
Dist. restrs. and SS energy: 3.087 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -2631.097071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2631.097071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2635.314942 (E_RNA)
where:
Base-Base interactions energy: -1863.314
where: short stacking energy: -794.100
Base-Backbone interact. energy: -2.790
local terms energy: -769.211010
where:
bonds (distance) C4'-P energy: -124.265
bonds (distance) P-C4' energy: -134.393
flat angles C4'-P-C4' energy: -167.508
flat angles P-C4'-P energy: -105.359
tors. eta vs tors. theta energy: -237.686
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: 3, replica: 9
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -2570.372624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2570.372624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2576.697140 (E_RNA)
where:
Base-Base interactions energy: -1786.345
where: short stacking energy: -753.657
Base-Backbone interact. energy: -3.718
local terms energy: -786.634153
where:
bonds (distance) C4'-P energy: -145.748
bonds (distance) P-C4' energy: -140.607
flat angles C4'-P-C4' energy: -164.734
flat angles P-C4'-P energy: -105.053
tors. eta vs tors. theta energy: -230.492
Dist. restrs. and SS energy: 6.325 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -2454.750685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2454.750685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2466.817306 (E_RNA)
where:
Base-Base interactions energy: -1728.136
where: short stacking energy: -760.988
Base-Backbone interact. energy: -1.117
local terms energy: -737.564172
where:
bonds (distance) C4'-P energy: -126.582
bonds (distance) P-C4' energy: -133.570
flat angles C4'-P-C4' energy: -164.858
flat angles P-C4'-P energy: -100.801
tors. eta vs tors. theta energy: -211.754
Dist. restrs. and SS energy: 12.067 (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: 7
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -2436.303932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2436.303932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2450.923171 (E_RNA)
where:
Base-Base interactions energy: -1711.461
where: short stacking energy: -722.019
Base-Backbone interact. energy: -3.641
local terms energy: -735.821453
where:
bonds (distance) C4'-P energy: -127.847
bonds (distance) P-C4' energy: -138.945
flat angles C4'-P-C4' energy: -146.930
flat angles P-C4'-P energy: -96.724
tors. eta vs tors. theta energy: -225.375
Dist. restrs. and SS energy: 14.619 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -2367.824141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2367.824141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2375.657829 (E_RNA)
where:
Base-Base interactions energy: -1651.857
where: short stacking energy: -705.477
Base-Backbone interact. energy: -3.074
local terms energy: -720.726687
where:
bonds (distance) C4'-P energy: -120.098
bonds (distance) P-C4' energy: -138.332
flat angles C4'-P-C4' energy: -156.283
flat angles P-C4'-P energy: -100.580
tors. eta vs tors. theta energy: -205.433
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: 5
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -2251.446227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2251.446227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2265.491868 (E_RNA)
where:
Base-Base interactions energy: -1597.183
where: short stacking energy: -674.041
Base-Backbone interact. energy: -1.329
local terms energy: -666.979921
where:
bonds (distance) C4'-P energy: -133.543
bonds (distance) P-C4' energy: -106.730
flat angles C4'-P-C4' energy: -140.751
flat angles P-C4'-P energy: -82.376
tors. eta vs tors. theta energy: -203.580
Dist. restrs. and SS energy: 14.046 (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: 156
Temperature: 1.250000
Total energy: -2178.813592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2178.813592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2192.940908 (E_RNA)
where:
Base-Base interactions energy: -1506.622
where: short stacking energy: -639.245
Base-Backbone interact. energy: -3.074
local terms energy: -683.244646
where:
bonds (distance) C4'-P energy: -118.643
bonds (distance) P-C4' energy: -138.056
flat angles C4'-P-C4' energy: -135.338
flat angles P-C4'-P energy: -97.439
tors. eta vs tors. theta energy: -193.768
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: 9, replica: 1
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -2055.046678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2055.046678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2064.255313 (E_RNA)
where:
Base-Base interactions energy: -1467.316
where: short stacking energy: -599.886
Base-Backbone interact. energy: -1.964
local terms energy: -594.974636
where:
bonds (distance) C4'-P energy: -82.792
bonds (distance) P-C4' energy: -95.239
flat angles C4'-P-C4' energy: -150.939
flat angles P-C4'-P energy: -78.810
tors. eta vs tors. theta energy: -187.195
Dist. restrs. and SS energy: 9.209 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -1887.269183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1887.269183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.642370 (E_RNA)
where:
Base-Base interactions energy: -1321.545
where: short stacking energy: -546.891
Base-Backbone interact. energy: -1.097
local terms energy: -585.999675
where:
bonds (distance) C4'-P energy: -111.195
bonds (distance) P-C4' energy: -110.467
flat angles C4'-P-C4' energy: -127.347
flat angles P-C4'-P energy: -93.050
tors. eta vs tors. theta energy: -143.941
Dist. restrs. and SS energy: 21.373 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -2704.420605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2704.420605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2708.329837 (E_RNA)
where:
Base-Base interactions energy: -1894.904
where: short stacking energy: -804.118
Base-Backbone interact. energy: -4.183
local terms energy: -809.242592
where:
bonds (distance) C4'-P energy: -132.642
bonds (distance) P-C4' energy: -141.675
flat angles C4'-P-C4' energy: -172.272
flat angles P-C4'-P energy: -122.232
tors. eta vs tors. theta energy: -240.422
Dist. restrs. and SS energy: 3.909 (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: 10
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -2675.926548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2675.926548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2680.138053 (E_RNA)
where:
Base-Base interactions energy: -1887.131
where: short stacking energy: -811.018
Base-Backbone interact. energy: 0.557
local terms energy: -793.563885
where:
bonds (distance) C4'-P energy: -150.133
bonds (distance) P-C4' energy: -138.515
flat angles C4'-P-C4' energy: -155.388
flat angles P-C4'-P energy: -108.103
tors. eta vs tors. theta energy: -241.426
Dist. restrs. and SS energy: 4.212 (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: 9
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -2577.743969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2577.743969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2585.352318 (E_RNA)
where:
Base-Base interactions energy: -1809.843
where: short stacking energy: -755.178
Base-Backbone interact. energy: -3.796
local terms energy: -771.712971
where:
bonds (distance) C4'-P energy: -142.307
bonds (distance) P-C4' energy: -128.882
flat angles C4'-P-C4' energy: -158.994
flat angles P-C4'-P energy: -113.567
tors. eta vs tors. theta energy: -227.963
Dist. restrs. and SS energy: 7.608 (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: 7
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -2514.792267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2514.792267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2526.918517 (E_RNA)
where:
Base-Base interactions energy: -1774.783
where: short stacking energy: -741.271
Base-Backbone interact. energy: -0.113
local terms energy: -752.021798
where:
bonds (distance) C4'-P energy: -131.936
bonds (distance) P-C4' energy: -143.706
flat angles C4'-P-C4' energy: -156.662
flat angles P-C4'-P energy: -103.502
tors. eta vs tors. theta energy: -216.216
Dist. restrs. and SS energy: 12.126 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -2451.023269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2451.023269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2461.432199 (E_RNA)
where:
Base-Base interactions energy: -1748.763
where: short stacking energy: -722.928
Base-Backbone interact. energy: -2.567
local terms energy: -710.102166
where:
bonds (distance) C4'-P energy: -101.509
bonds (distance) P-C4' energy: -130.027
flat angles C4'-P-C4' energy: -157.771
flat angles P-C4'-P energy: -110.171
tors. eta vs tors. theta energy: -210.625
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: 6, replica: 3
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -2397.375356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2397.375356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2404.269908 (E_RNA)
where:
Base-Base interactions energy: -1678.959
where: short stacking energy: -714.584
Base-Backbone interact. energy: -3.272
local terms energy: -722.039451
where:
bonds (distance) C4'-P energy: -137.839
bonds (distance) P-C4' energy: -115.435
flat angles C4'-P-C4' energy: -139.413
flat angles P-C4'-P energy: -111.050
tors. eta vs tors. theta energy: -218.302
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: 7, replica: 5
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -2271.201475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2271.201475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2280.654614 (E_RNA)
where:
Base-Base interactions energy: -1603.823
where: short stacking energy: -683.390
Base-Backbone interact. energy: 4.517
local terms energy: -681.348708
where:
bonds (distance) C4'-P energy: -118.705
bonds (distance) P-C4' energy: -130.742
flat angles C4'-P-C4' energy: -136.783
flat angles P-C4'-P energy: -82.632
tors. eta vs tors. theta energy: -212.487
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: 8, replica: 2
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -2140.444141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2140.444141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2149.556361 (E_RNA)
where:
Base-Base interactions energy: -1522.348
where: short stacking energy: -633.095
Base-Backbone interact. energy: -1.326
local terms energy: -625.881778
where:
bonds (distance) C4'-P energy: -116.202
bonds (distance) P-C4' energy: -117.469
flat angles C4'-P-C4' energy: -128.209
flat angles P-C4'-P energy: -85.156
tors. eta vs tors. theta energy: -178.847
Dist. restrs. and SS energy: 9.112 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -2057.511456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2057.511456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2074.372810 (E_RNA)
where:
Base-Base interactions energy: -1440.465
where: short stacking energy: -617.665
Base-Backbone interact. energy: -1.809
local terms energy: -632.099218
where:
bonds (distance) C4'-P energy: -112.686
bonds (distance) P-C4' energy: -108.434
flat angles C4'-P-C4' energy: -136.435
flat angles P-C4'-P energy: -100.269
tors. eta vs tors. theta energy: -174.275
Dist. restrs. and SS energy: 16.861 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -1931.086668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1931.086668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1951.789947 (E_RNA)
where:
Base-Base interactions energy: -1385.790
where: short stacking energy: -574.507
Base-Backbone interact. energy: -2.859
local terms energy: -563.141384
where:
bonds (distance) C4'-P energy: -108.457
bonds (distance) P-C4' energy: -101.185
flat angles C4'-P-C4' energy: -126.996
flat angles P-C4'-P energy: -76.489
tors. eta vs tors. theta energy: -150.014
Dist. restrs. and SS energy: 20.703 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -2727.241808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2727.241808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2729.810751 (E_RNA)
where:
Base-Base interactions energy: -1891.486
where: short stacking energy: -825.123
Base-Backbone interact. energy: -2.897
local terms energy: -835.428415
where:
bonds (distance) C4'-P energy: -135.442
bonds (distance) P-C4' energy: -141.508
flat angles C4'-P-C4' energy: -174.804
flat angles P-C4'-P energy: -133.668
tors. eta vs tors. theta energy: -250.006
Dist. restrs. and SS energy: 2.569 (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: 10
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -2669.266970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2669.266970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2675.182835 (E_RNA)
where:
Base-Base interactions energy: -1885.042
where: short stacking energy: -782.610
Base-Backbone interact. energy: -4.696
local terms energy: -785.444316
where:
bonds (distance) C4'-P energy: -140.462
bonds (distance) P-C4' energy: -143.373
flat angles C4'-P-C4' energy: -160.715
flat angles P-C4'-P energy: -111.904
tors. eta vs tors. theta energy: -228.991
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: 3, replica: 9
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -2544.474090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2544.474090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2548.010115 (E_RNA)
where:
Base-Base interactions energy: -1816.209
where: short stacking energy: -745.681
Base-Backbone interact. energy: -0.750
local terms energy: -731.050926
where:
bonds (distance) C4'-P energy: -133.474
bonds (distance) P-C4' energy: -121.600
flat angles C4'-P-C4' energy: -154.604
flat angles P-C4'-P energy: -103.856
tors. eta vs tors. theta energy: -217.517
Dist. restrs. and SS energy: 3.536 (S_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: 158
Temperature: 1.050000
Total energy: -2469.446560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2469.446560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2486.103994 (E_RNA)
where:
Base-Base interactions energy: -1754.283
where: short stacking energy: -745.828
Base-Backbone interact. energy: -3.466
local terms energy: -728.355396
where:
bonds (distance) C4'-P energy: -121.045
bonds (distance) P-C4' energy: -127.639
flat angles C4'-P-C4' energy: -141.564
flat angles P-C4'-P energy: -110.215
tors. eta vs tors. theta energy: -227.893
Dist. restrs. and SS energy: 16.657 (S_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: 158
Temperature: 1.100000
Total energy: -2417.570484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2417.570484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2427.360491 (E_RNA)
where:
Base-Base interactions energy: -1683.528
where: short stacking energy: -730.747
Base-Backbone interact. energy: -0.509
local terms energy: -743.323063
where:
bonds (distance) C4'-P energy: -132.344
bonds (distance) P-C4' energy: -137.511
flat angles C4'-P-C4' energy: -156.829
flat angles P-C4'-P energy: -101.854
tors. eta vs tors. theta energy: -214.786
Dist. restrs. and SS energy: 9.790 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -2366.224405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2366.224405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2381.387945 (E_RNA)
where:
Base-Base interactions energy: -1669.727
where: short stacking energy: -728.643
Base-Backbone interact. energy: -1.242
local terms energy: -710.419585
where:
bonds (distance) C4'-P energy: -129.382
bonds (distance) P-C4' energy: -129.945
flat angles C4'-P-C4' energy: -140.326
flat angles P-C4'-P energy: -96.223
tors. eta vs tors. theta energy: -214.544
Dist. restrs. and SS energy: 15.164 (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: 5
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -2267.058320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2267.058320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2275.563047 (E_RNA)
where:
Base-Base interactions energy: -1584.057
where: short stacking energy: -668.006
Base-Backbone interact. energy: -1.701
local terms energy: -689.804361
where:
bonds (distance) C4'-P energy: -132.181
bonds (distance) P-C4' energy: -121.016
flat angles C4'-P-C4' energy: -152.308
flat angles P-C4'-P energy: -87.442
tors. eta vs tors. theta energy: -196.856
Dist. restrs. and SS energy: 8.505 (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: 2
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -2153.302598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2153.302598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2164.203718 (E_RNA)
where:
Base-Base interactions energy: -1529.260
where: short stacking energy: -643.859
Base-Backbone interact. energy: -4.556
local terms energy: -630.388460
where:
bonds (distance) C4'-P energy: -108.434
bonds (distance) P-C4' energy: -130.586
flat angles C4'-P-C4' energy: -129.743
flat angles P-C4'-P energy: -96.035
tors. eta vs tors. theta energy: -165.590
Dist. restrs. and SS energy: 10.901 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -2067.851827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2067.851827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2084.559847 (E_RNA)
where:
Base-Base interactions energy: -1472.943
where: short stacking energy: -618.079
Base-Backbone interact. energy: 0.292
local terms energy: -611.908683
where:
bonds (distance) C4'-P energy: -94.759
bonds (distance) P-C4' energy: -136.328
flat angles C4'-P-C4' energy: -132.259
flat angles P-C4'-P energy: -65.713
tors. eta vs tors. theta energy: -182.850
Dist. restrs. and SS energy: 16.708 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -1942.993342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.993342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.408642 (E_RNA)
where:
Base-Base interactions energy: -1388.077
where: short stacking energy: -601.560
Base-Backbone interact. energy: -1.694
local terms energy: -574.636971
where:
bonds (distance) C4'-P energy: -104.172
bonds (distance) P-C4' energy: -111.951
flat angles C4'-P-C4' energy: -122.686
flat angles P-C4'-P energy: -66.803
tors. eta vs tors. theta energy: -169.024
Dist. restrs. and SS energy: 21.415 (S_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: 159
Temperature: 0.900000
Total energy: -2726.654597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2726.654597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2730.378802 (E_RNA)
where:
Base-Base interactions energy: -1901.580
where: short stacking energy: -827.254
Base-Backbone interact. energy: -1.025
local terms energy: -827.773426
where:
bonds (distance) C4'-P energy: -139.214
bonds (distance) P-C4' energy: -150.996
flat angles C4'-P-C4' energy: -180.585
flat angles P-C4'-P energy: -109.384
tors. eta vs tors. theta energy: -247.596
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: 2, replica: 10
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -2657.519597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2657.519597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2662.691880 (E_RNA)
where:
Base-Base interactions energy: -1862.157
where: short stacking energy: -788.801
Base-Backbone interact. energy: -5.324
local terms energy: -795.210851
where:
bonds (distance) C4'-P energy: -143.254
bonds (distance) P-C4' energy: -144.395
flat angles C4'-P-C4' energy: -167.804
flat angles P-C4'-P energy: -100.711
tors. eta vs tors. theta energy: -239.047
Dist. restrs. and SS energy: 5.172 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -2576.158247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2576.158247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2583.496249 (E_RNA)
where:
Base-Base interactions energy: -1829.547
where: short stacking energy: -761.643
Base-Backbone interact. energy: -2.225
local terms energy: -751.724232
where:
bonds (distance) C4'-P energy: -127.385
bonds (distance) P-C4' energy: -155.598
flat angles C4'-P-C4' energy: -157.630
flat angles P-C4'-P energy: -95.365
tors. eta vs tors. theta energy: -215.746
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: 4, replica: 7
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -2454.184764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2454.184764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2472.040789 (E_RNA)
where:
Base-Base interactions energy: -1731.626
where: short stacking energy: -758.495
Base-Backbone interact. energy: 0.954
local terms energy: -741.369441
where:
bonds (distance) C4'-P energy: -141.888
bonds (distance) P-C4' energy: -139.364
flat angles C4'-P-C4' energy: -150.079
flat angles P-C4'-P energy: -89.649
tors. eta vs tors. theta energy: -220.390
Dist. restrs. and SS energy: 17.856 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -2430.527357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2430.527357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2436.634863 (E_RNA)
where:
Base-Base interactions energy: -1697.910
where: short stacking energy: -692.310
Base-Backbone interact. energy: -1.232
local terms energy: -737.492781
where:
bonds (distance) C4'-P energy: -131.046
bonds (distance) P-C4' energy: -134.767
flat angles C4'-P-C4' energy: -159.413
flat angles P-C4'-P energy: -105.672
tors. eta vs tors. theta energy: -206.596
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: 6, replica: 5
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -2380.728955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2380.728955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2394.680351 (E_RNA)
where:
Base-Base interactions energy: -1686.042
where: short stacking energy: -698.497
Base-Backbone interact. energy: 2.027
local terms energy: -710.665404
where:
bonds (distance) C4'-P energy: -131.487
bonds (distance) P-C4' energy: -128.121
flat angles C4'-P-C4' energy: -146.992
flat angles P-C4'-P energy: -94.176
tors. eta vs tors. theta energy: -209.890
Dist. restrs. and SS energy: 13.951 (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: 4
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -2309.952334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2309.952334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2317.026594 (E_RNA)
where:
Base-Base interactions energy: -1651.470
where: short stacking energy: -684.688
Base-Backbone interact. energy: 0.563
local terms energy: -666.119368
where:
bonds (distance) C4'-P energy: -125.268
bonds (distance) P-C4' energy: -107.867
flat angles C4'-P-C4' energy: -149.521
flat angles P-C4'-P energy: -73.690
tors. eta vs tors. theta energy: -209.773
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: 8, replica: 1
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -2137.665106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2137.665106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2148.546062 (E_RNA)
where:
Base-Base interactions energy: -1528.559
where: short stacking energy: -637.833
Base-Backbone interact. energy: -0.868
local terms energy: -619.119529
where:
bonds (distance) C4'-P energy: -88.480
bonds (distance) P-C4' energy: -141.184
flat angles C4'-P-C4' energy: -125.753
flat angles P-C4'-P energy: -85.224
tors. eta vs tors. theta energy: -178.478
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: 9, replica: 2
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -2096.278039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2096.278039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2105.904806 (E_RNA)
where:
Base-Base interactions energy: -1466.422
where: short stacking energy: -598.446
Base-Backbone interact. energy: 3.069
local terms energy: -642.551646
where:
bonds (distance) C4'-P energy: -124.665
bonds (distance) P-C4' energy: -130.430
flat angles C4'-P-C4' energy: -126.240
flat angles P-C4'-P energy: -88.446
tors. eta vs tors. theta energy: -172.772
Dist. restrs. and SS energy: 9.627 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -1910.924073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1910.924073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1928.283729 (E_RNA)
where:
Base-Base interactions energy: -1377.283
where: short stacking energy: -553.417
Base-Backbone interact. energy: -0.734
local terms energy: -550.266113
where:
bonds (distance) C4'-P energy: -108.228
bonds (distance) P-C4' energy: -99.520
flat angles C4'-P-C4' energy: -121.552
flat angles P-C4'-P energy: -69.482
tors. eta vs tors. theta energy: -151.484
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: 8
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -2741.746373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2741.746373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2745.105057 (E_RNA)
where:
Base-Base interactions energy: -1912.547
where: short stacking energy: -797.230
Base-Backbone interact. energy: -3.140
local terms energy: -829.417913
where:
bonds (distance) C4'-P energy: -154.474
bonds (distance) P-C4' energy: -138.462
flat angles C4'-P-C4' energy: -176.201
flat angles P-C4'-P energy: -125.144
tors. eta vs tors. theta energy: -235.137
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: 2, replica: 10
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -2641.645192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2641.645192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2649.612381 (E_RNA)
where:
Base-Base interactions energy: -1863.658
where: short stacking energy: -779.998
Base-Backbone interact. energy: 0.052
local terms energy: -786.006359
where:
bonds (distance) C4'-P energy: -135.430
bonds (distance) P-C4' energy: -135.751
flat angles C4'-P-C4' energy: -163.878
flat angles P-C4'-P energy: -121.042
tors. eta vs tors. theta energy: -229.905
Dist. restrs. and SS energy: 7.967 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -2560.682274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2560.682274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2568.964867 (E_RNA)
where:
Base-Base interactions energy: -1781.242
where: short stacking energy: -762.201
Base-Backbone interact. energy: -4.850
local terms energy: -782.873330
where:
bonds (distance) C4'-P energy: -147.291
bonds (distance) P-C4' energy: -142.019
flat angles C4'-P-C4' energy: -161.383
flat angles P-C4'-P energy: -106.423
tors. eta vs tors. theta energy: -225.758
Dist. restrs. and SS energy: 8.283 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -2539.156482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2539.156482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2549.124234 (E_RNA)
where:
Base-Base interactions energy: -1803.310
where: short stacking energy: -755.363
Base-Backbone interact. energy: -4.734
local terms energy: -741.080532
where:
bonds (distance) C4'-P energy: -113.804
bonds (distance) P-C4' energy: -142.707
flat angles C4'-P-C4' energy: -163.668
flat angles P-C4'-P energy: -93.282
tors. eta vs tors. theta energy: -227.620
Dist. restrs. and SS energy: 9.968 (S_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: 160
Temperature: 1.100000
Total energy: -2456.831441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2456.831441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2463.622222 (E_RNA)
where:
Base-Base interactions energy: -1726.276
where: short stacking energy: -722.408
Base-Backbone interact. energy: -2.393
local terms energy: -734.953613
where:
bonds (distance) C4'-P energy: -132.102
bonds (distance) P-C4' energy: -138.534
flat angles C4'-P-C4' energy: -143.900
flat angles P-C4'-P energy: -111.282
tors. eta vs tors. theta energy: -209.136
Dist. restrs. and SS energy: 6.791 (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: 5
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -2364.727153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2364.727153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2374.584298 (E_RNA)
where:
Base-Base interactions energy: -1650.833
where: short stacking energy: -686.311
Base-Backbone interact. energy: -2.355
local terms energy: -721.396459
where:
bonds (distance) C4'-P energy: -120.138
bonds (distance) P-C4' energy: -141.092
flat angles C4'-P-C4' energy: -159.663
flat angles P-C4'-P energy: -93.702
tors. eta vs tors. theta energy: -206.802
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: 7, replica: 4
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -2249.816848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2249.816848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2264.552790 (E_RNA)
where:
Base-Base interactions energy: -1595.587
where: short stacking energy: -670.184
Base-Backbone interact. energy: -3.654
local terms energy: -665.311661
where:
bonds (distance) C4'-P energy: -123.824
bonds (distance) P-C4' energy: -103.057
flat angles C4'-P-C4' energy: -147.015
flat angles P-C4'-P energy: -90.320
tors. eta vs tors. theta energy: -201.095
Dist. restrs. and SS energy: 14.736 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -2202.274458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2202.274458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2215.938672 (E_RNA)
where:
Base-Base interactions energy: -1582.283
where: short stacking energy: -639.967
Base-Backbone interact. energy: -2.997
local terms energy: -630.658410
where:
bonds (distance) C4'-P energy: -133.858
bonds (distance) P-C4' energy: -84.408
flat angles C4'-P-C4' energy: -151.272
flat angles P-C4'-P energy: -85.346
tors. eta vs tors. theta energy: -175.773
Dist. restrs. and SS energy: 13.664 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -2075.841122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2075.841122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2087.297021 (E_RNA)
where:
Base-Base interactions energy: -1488.698
where: short stacking energy: -599.232
Base-Backbone interact. energy: -1.219
local terms energy: -597.379797
where:
bonds (distance) C4'-P energy: -119.770
bonds (distance) P-C4' energy: -122.478
flat angles C4'-P-C4' energy: -121.625
flat angles P-C4'-P energy: -66.050
tors. eta vs tors. theta energy: -167.457
Dist. restrs. and SS energy: 11.456 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -1891.757254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1891.757254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1915.862438 (E_RNA)
where:
Base-Base interactions energy: -1338.933
where: short stacking energy: -548.239
Base-Backbone interact. energy: -0.470
local terms energy: -576.459816
where:
bonds (distance) C4'-P energy: -113.710
bonds (distance) P-C4' energy: -109.771
flat angles C4'-P-C4' energy: -126.643
flat angles P-C4'-P energy: -64.263
tors. eta vs tors. theta energy: -162.072
Dist. restrs. and SS energy: 24.105 (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: 8
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -2704.829649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2704.829649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2709.895807 (E_RNA)
where:
Base-Base interactions energy: -1910.496
where: short stacking energy: -811.744
Base-Backbone interact. energy: -1.623
local terms energy: -797.776399
where:
bonds (distance) C4'-P energy: -131.654
bonds (distance) P-C4' energy: -148.074
flat angles C4'-P-C4' energy: -160.722
flat angles P-C4'-P energy: -120.554
tors. eta vs tors. theta energy: -236.773
Dist. restrs. and SS energy: 5.066 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -2658.475353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2658.475353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2668.097486 (E_RNA)
where:
Base-Base interactions energy: -1857.925
where: short stacking energy: -776.745
Base-Backbone interact. energy: -0.889
local terms energy: -809.283191
where:
bonds (distance) C4'-P energy: -144.067
bonds (distance) P-C4' energy: -139.895
flat angles C4'-P-C4' energy: -163.892
flat angles P-C4'-P energy: -122.081
tors. eta vs tors. theta energy: -239.348
Dist. restrs. and SS energy: 9.622 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -2550.330859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2550.330859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2556.494529 (E_RNA)
where:
Base-Base interactions energy: -1777.394
where: short stacking energy: -753.833
Base-Backbone interact. energy: -0.018
local terms energy: -779.083164
where:
bonds (distance) C4'-P energy: -138.399
bonds (distance) P-C4' energy: -125.314
flat angles C4'-P-C4' energy: -166.385
flat angles P-C4'-P energy: -116.175
tors. eta vs tors. theta energy: -232.809
Dist. restrs. and SS energy: 6.164 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -2518.143563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2518.143563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2528.458744 (E_RNA)
where:
Base-Base interactions energy: -1752.954
where: short stacking energy: -764.021
Base-Backbone interact. energy: -2.021
local terms energy: -773.483814
where:
bonds (distance) C4'-P energy: -130.646
bonds (distance) P-C4' energy: -141.868
flat angles C4'-P-C4' energy: -154.842
flat angles P-C4'-P energy: -112.548
tors. eta vs tors. theta energy: -233.581
Dist. restrs. and SS energy: 10.315 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -2426.081056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2426.081056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2432.759556 (E_RNA)
where:
Base-Base interactions energy: -1698.496
where: short stacking energy: -718.486
Base-Backbone interact. energy: -0.380
local terms energy: -733.883537
where:
bonds (distance) C4'-P energy: -133.119
bonds (distance) P-C4' energy: -129.947
flat angles C4'-P-C4' energy: -156.544
flat angles P-C4'-P energy: -103.312
tors. eta vs tors. theta energy: -210.961
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: 5
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -2332.495172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2332.495172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2340.650366 (E_RNA)
where:
Base-Base interactions energy: -1595.201
where: short stacking energy: -671.639
Base-Backbone interact. energy: 1.122
local terms energy: -746.571361
where:
bonds (distance) C4'-P energy: -137.181
bonds (distance) P-C4' energy: -141.304
flat angles C4'-P-C4' energy: -156.516
flat angles P-C4'-P energy: -104.311
tors. eta vs tors. theta energy: -207.259
Dist. restrs. and SS energy: 8.155 (S_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: 161
Temperature: 1.200000
Total energy: -2252.845565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2252.845565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2263.672196 (E_RNA)
where:
Base-Base interactions energy: -1573.920
where: short stacking energy: -662.821
Base-Backbone interact. energy: 1.977
local terms energy: -691.729774
where:
bonds (distance) C4'-P energy: -121.140
bonds (distance) P-C4' energy: -130.678
flat angles C4'-P-C4' energy: -151.574
flat angles P-C4'-P energy: -84.807
tors. eta vs tors. theta energy: -203.531
Dist. restrs. and SS energy: 10.827 (S_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: 161
Temperature: 1.250000
Total energy: -2088.754350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.754350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2105.550941 (E_RNA)
where:
Base-Base interactions energy: -1491.260
where: short stacking energy: -645.714
Base-Backbone interact. energy: -1.438
local terms energy: -612.852887
where:
bonds (distance) C4'-P energy: -105.882
bonds (distance) P-C4' energy: -114.369
flat angles C4'-P-C4' energy: -130.450
flat angles P-C4'-P energy: -83.753
tors. eta vs tors. theta energy: -178.400
Dist. restrs. and SS energy: 16.797 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -2021.970523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2021.970523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2027.017487 (E_RNA)
where:
Base-Base interactions energy: -1426.333
where: short stacking energy: -591.348
Base-Backbone interact. energy: -2.988
local terms energy: -597.696902
where:
bonds (distance) C4'-P energy: -108.160
bonds (distance) P-C4' energy: -110.436
flat angles C4'-P-C4' energy: -132.701
flat angles P-C4'-P energy: -66.433
tors. eta vs tors. theta energy: -179.967
Dist. restrs. and SS energy: 5.047 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -1952.861706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1952.861706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.031766 (E_RNA)
where:
Base-Base interactions energy: -1418.722
where: short stacking energy: -598.213
Base-Backbone interact. energy: -2.268
local terms energy: -547.041300
where:
bonds (distance) C4'-P energy: -56.676
bonds (distance) P-C4' energy: -97.088
flat angles C4'-P-C4' energy: -138.062
flat angles P-C4'-P energy: -87.738
tors. eta vs tors. theta energy: -167.477
Dist. restrs. and SS energy: 15.170 (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: 8
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -2746.823317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2746.823317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2749.523925 (E_RNA)
where:
Base-Base interactions energy: -1910.353
where: short stacking energy: -830.671
Base-Backbone interact. energy: -2.466
local terms energy: -836.704357
where:
bonds (distance) C4'-P energy: -140.303
bonds (distance) P-C4' energy: -152.094
flat angles C4'-P-C4' energy: -174.878
flat angles P-C4'-P energy: -125.276
tors. eta vs tors. theta energy: -244.154
Dist. restrs. and SS energy: 2.701 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -2607.120293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2607.120293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2615.694219 (E_RNA)
where:
Base-Base interactions energy: -1829.306
where: short stacking energy: -791.699
Base-Backbone interact. energy: -1.837
local terms energy: -784.551084
where:
bonds (distance) C4'-P energy: -154.846
bonds (distance) P-C4' energy: -137.708
flat angles C4'-P-C4' energy: -163.240
flat angles P-C4'-P energy: -104.103
tors. eta vs tors. theta energy: -224.653
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: 3, replica: 9
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -2564.349691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2564.349691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2570.783432 (E_RNA)
where:
Base-Base interactions energy: -1782.397
where: short stacking energy: -769.582
Base-Backbone interact. energy: 0.308
local terms energy: -788.694148
where:
bonds (distance) C4'-P energy: -133.789
bonds (distance) P-C4' energy: -139.551
flat angles C4'-P-C4' energy: -162.499
flat angles P-C4'-P energy: -119.831
tors. eta vs tors. theta energy: -233.024
Dist. restrs. and SS energy: 6.434 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -2501.736894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2501.736894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2509.900669 (E_RNA)
where:
Base-Base interactions energy: -1778.916
where: short stacking energy: -739.671
Base-Backbone interact. energy: -1.097
local terms energy: -729.887411
where:
bonds (distance) C4'-P energy: -132.103
bonds (distance) P-C4' energy: -129.253
flat angles C4'-P-C4' energy: -147.352
flat angles P-C4'-P energy: -97.022
tors. eta vs tors. theta energy: -224.158
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: 5, replica: 3
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -2416.007232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2416.007232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2423.482263 (E_RNA)
where:
Base-Base interactions energy: -1685.924
where: short stacking energy: -734.924
Base-Backbone interact. energy: 1.995
local terms energy: -739.552623
where:
bonds (distance) C4'-P energy: -124.535
bonds (distance) P-C4' energy: -143.932
flat angles C4'-P-C4' energy: -156.944
flat angles P-C4'-P energy: -96.694
tors. eta vs tors. theta energy: -217.447
Dist. restrs. and SS energy: 7.475 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -2317.396105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2317.396105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2325.245094 (E_RNA)
where:
Base-Base interactions energy: -1629.909
where: short stacking energy: -695.001
Base-Backbone interact. energy: -3.311
local terms energy: -692.025194
where:
bonds (distance) C4'-P energy: -118.042
bonds (distance) P-C4' energy: -114.693
flat angles C4'-P-C4' energy: -159.426
flat angles P-C4'-P energy: -97.986
tors. eta vs tors. theta energy: -201.878
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: 7, replica: 1
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -2108.842235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2108.842235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2124.752645 (E_RNA)
where:
Base-Base interactions energy: -1492.980
where: short stacking energy: -610.194
Base-Backbone interact. energy: 0.197
local terms energy: -631.969322
where:
bonds (distance) C4'-P energy: -108.933
bonds (distance) P-C4' energy: -131.453
flat angles C4'-P-C4' energy: -122.489
flat angles P-C4'-P energy: -101.273
tors. eta vs tors. theta energy: -167.821
Dist. restrs. and SS energy: 15.910 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -2174.926841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2174.926841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2194.204380 (E_RNA)
where:
Base-Base interactions energy: -1532.901
where: short stacking energy: -647.469
Base-Backbone interact. energy: -0.275
local terms energy: -661.028221
where:
bonds (distance) C4'-P energy: -119.932
bonds (distance) P-C4' energy: -120.548
flat angles C4'-P-C4' energy: -143.300
flat angles P-C4'-P energy: -80.915
tors. eta vs tors. theta energy: -196.332
Dist. restrs. and SS energy: 19.278 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -2022.863504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2022.863504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2039.820249 (E_RNA)
where:
Base-Base interactions energy: -1422.764
where: short stacking energy: -569.533
Base-Backbone interact. energy: -0.602
local terms energy: -616.453332
where:
bonds (distance) C4'-P energy: -127.102
bonds (distance) P-C4' energy: -129.187
flat angles C4'-P-C4' energy: -109.049
flat angles P-C4'-P energy: -85.343
tors. eta vs tors. theta energy: -165.773
Dist. restrs. and SS energy: 16.957 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -1982.750086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1982.750086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1995.954360 (E_RNA)
where:
Base-Base interactions energy: -1448.622
where: short stacking energy: -578.216
Base-Backbone interact. energy: 1.233
local terms energy: -548.565591
where:
bonds (distance) C4'-P energy: -100.268
bonds (distance) P-C4' energy: -73.329
flat angles C4'-P-C4' energy: -124.012
flat angles P-C4'-P energy: -79.559
tors. eta vs tors. theta energy: -171.398
Dist. restrs. and SS energy: 13.204 (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: 8
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -2689.179064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2689.179064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2691.892167 (E_RNA)
where:
Base-Base interactions energy: -1884.370
where: short stacking energy: -782.222
Base-Backbone interact. energy: -1.843
local terms energy: -805.678610
where:
bonds (distance) C4'-P energy: -149.983
bonds (distance) P-C4' energy: -136.400
flat angles C4'-P-C4' energy: -172.169
flat angles P-C4'-P energy: -109.768
tors. eta vs tors. theta energy: -237.358
Dist. restrs. and SS energy: 2.713 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -2622.197680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2622.197680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2630.055816 (E_RNA)
where:
Base-Base interactions energy: -1822.404
where: short stacking energy: -783.804
Base-Backbone interact. energy: -3.834
local terms energy: -803.818103
where:
bonds (distance) C4'-P energy: -141.725
bonds (distance) P-C4' energy: -144.186
flat angles C4'-P-C4' energy: -170.938
flat angles P-C4'-P energy: -112.613
tors. eta vs tors. theta energy: -234.356
Dist. restrs. and SS energy: 7.858 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -2531.459061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2531.459061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2539.146360 (E_RNA)
where:
Base-Base interactions energy: -1788.171
where: short stacking energy: -764.782
Base-Backbone interact. energy: -0.310
local terms energy: -750.665284
where:
bonds (distance) C4'-P energy: -132.015
bonds (distance) P-C4' energy: -126.474
flat angles C4'-P-C4' energy: -163.969
flat angles P-C4'-P energy: -108.491
tors. eta vs tors. theta energy: -219.717
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: 7
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -2479.925849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2479.925849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2489.979282 (E_RNA)
where:
Base-Base interactions energy: -1750.083
where: short stacking energy: -743.945
Base-Backbone interact. energy: -1.883
local terms energy: -738.013636
where:
bonds (distance) C4'-P energy: -143.782
bonds (distance) P-C4' energy: -120.296
flat angles C4'-P-C4' energy: -151.158
flat angles P-C4'-P energy: -93.017
tors. eta vs tors. theta energy: -229.761
Dist. restrs. and SS energy: 10.053 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -2365.775623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2365.775623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2371.739548 (E_RNA)
where:
Base-Base interactions energy: -1678.996
where: short stacking energy: -708.658
Base-Backbone interact. energy: 3.418
local terms energy: -696.161713
where:
bonds (distance) C4'-P energy: -125.527
bonds (distance) P-C4' energy: -135.284
flat angles C4'-P-C4' energy: -158.459
flat angles P-C4'-P energy: -80.866
tors. eta vs tors. theta energy: -196.026
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: 6, replica: 5
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -2304.583841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2304.583841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2321.312063 (E_RNA)
where:
Base-Base interactions energy: -1642.703
where: short stacking energy: -699.967
Base-Backbone interact. energy: 3.543
local terms energy: -682.152085
where:
bonds (distance) C4'-P energy: -128.841
bonds (distance) P-C4' energy: -101.000
flat angles C4'-P-C4' energy: -148.517
flat angles P-C4'-P energy: -109.827
tors. eta vs tors. theta energy: -193.968
Dist. restrs. and SS energy: 16.728 (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: 1
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -2177.914841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2177.914841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2189.908318 (E_RNA)
where:
Base-Base interactions energy: -1541.707
where: short stacking energy: -624.499
Base-Backbone interact. energy: -6.702
local terms energy: -641.498608
where:
bonds (distance) C4'-P energy: -102.190
bonds (distance) P-C4' energy: -147.902
flat angles C4'-P-C4' energy: -135.333
flat angles P-C4'-P energy: -94.090
tors. eta vs tors. theta energy: -161.983
Dist. restrs. and SS energy: 11.993 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -2141.968313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2141.968313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2154.766317 (E_RNA)
where:
Base-Base interactions energy: -1504.669
where: short stacking energy: -641.532
Base-Backbone interact. energy: 2.636
local terms energy: -652.733911
where:
bonds (distance) C4'-P energy: -106.264
bonds (distance) P-C4' energy: -126.982
flat angles C4'-P-C4' energy: -144.760
flat angles P-C4'-P energy: -79.337
tors. eta vs tors. theta energy: -195.390
Dist. restrs. and SS energy: 12.798 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -2085.103680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2085.103680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.019584 (E_RNA)
where:
Base-Base interactions energy: -1528.122
where: short stacking energy: -617.738
Base-Backbone interact. energy: -2.967
local terms energy: -561.931016
where:
bonds (distance) C4'-P energy: -98.982
bonds (distance) P-C4' energy: -101.495
flat angles C4'-P-C4' energy: -119.538
flat angles P-C4'-P energy: -80.086
tors. eta vs tors. theta energy: -161.830
Dist. restrs. and SS energy: 7.916 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -1932.383573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.383573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1947.449649 (E_RNA)
where:
Base-Base interactions energy: -1364.669
where: short stacking energy: -549.598
Base-Backbone interact. energy: -0.994
local terms energy: -581.786079
where:
bonds (distance) C4'-P energy: -121.136
bonds (distance) P-C4' energy: -113.355
flat angles C4'-P-C4' energy: -133.399
flat angles P-C4'-P energy: -70.981
tors. eta vs tors. theta energy: -142.916
Dist. restrs. and SS energy: 15.066 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -2722.117454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2722.117454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2727.314858 (E_RNA)
where:
Base-Base interactions energy: -1905.342
where: short stacking energy: -814.535
Base-Backbone interact. energy: -3.184
local terms energy: -818.789105
where:
bonds (distance) C4'-P energy: -134.040
bonds (distance) P-C4' energy: -153.794
flat angles C4'-P-C4' energy: -173.112
flat angles P-C4'-P energy: -112.173
tors. eta vs tors. theta energy: -245.670
Dist. restrs. and SS energy: 5.197 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -2632.404461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2632.404461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2639.469645 (E_RNA)
where:
Base-Base interactions energy: -1848.444
where: short stacking energy: -772.714
Base-Backbone interact. energy: -1.029
local terms energy: -789.995855
where:
bonds (distance) C4'-P energy: -143.146
bonds (distance) P-C4' energy: -140.429
flat angles C4'-P-C4' energy: -164.957
flat angles P-C4'-P energy: -121.694
tors. eta vs tors. theta energy: -219.770
Dist. restrs. and SS energy: 7.065 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -2560.481663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2560.481663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2569.259213 (E_RNA)
where:
Base-Base interactions energy: -1774.660
where: short stacking energy: -743.416
Base-Backbone interact. energy: -1.366
local terms energy: -793.233762
where:
bonds (distance) C4'-P energy: -141.208
bonds (distance) P-C4' energy: -142.337
flat angles C4'-P-C4' energy: -172.895
flat angles P-C4'-P energy: -115.216
tors. eta vs tors. theta energy: -221.578
Dist. restrs. and SS energy: 8.778 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -2510.846348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2510.846348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2520.356060 (E_RNA)
where:
Base-Base interactions energy: -1751.560
where: short stacking energy: -719.787
Base-Backbone interact. energy: 2.803
local terms energy: -771.599658
where:
bonds (distance) C4'-P energy: -147.089
bonds (distance) P-C4' energy: -139.579
flat angles C4'-P-C4' energy: -155.016
flat angles P-C4'-P energy: -104.464
tors. eta vs tors. theta energy: -225.453
Dist. restrs. and SS energy: 9.510 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -2388.545727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2388.545727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2397.186243 (E_RNA)
where:
Base-Base interactions energy: -1685.332
where: short stacking energy: -694.280
Base-Backbone interact. energy: 3.726
local terms energy: -715.581070
where:
bonds (distance) C4'-P energy: -134.620
bonds (distance) P-C4' energy: -127.441
flat angles C4'-P-C4' energy: -158.295
flat angles P-C4'-P energy: -89.725
tors. eta vs tors. theta energy: -205.500
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: 6, replica: 5
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -2331.025395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2331.025395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2339.148142 (E_RNA)
where:
Base-Base interactions energy: -1636.080
where: short stacking energy: -677.448
Base-Backbone interact. energy: -3.627
local terms energy: -699.440800
where:
bonds (distance) C4'-P energy: -136.659
bonds (distance) P-C4' energy: -121.938
flat angles C4'-P-C4' energy: -146.654
flat angles P-C4'-P energy: -97.574
tors. eta vs tors. theta energy: -196.615
Dist. restrs. and SS energy: 8.123 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -2204.429957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2204.429957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2214.084250 (E_RNA)
where:
Base-Base interactions energy: -1501.934
where: short stacking energy: -617.632
Base-Backbone interact. energy: -4.959
local terms energy: -707.191934
where:
bonds (distance) C4'-P energy: -140.625
bonds (distance) P-C4' energy: -144.678
flat angles C4'-P-C4' energy: -150.672
flat angles P-C4'-P energy: -84.906
tors. eta vs tors. theta energy: -186.311
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: 8, replica: 1
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -2067.687256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2067.687256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2082.778824 (E_RNA)
where:
Base-Base interactions energy: -1461.378
where: short stacking energy: -606.801
Base-Backbone interact. energy: 0.578
local terms energy: -621.978429
where:
bonds (distance) C4'-P energy: -129.941
bonds (distance) P-C4' energy: -122.025
flat angles C4'-P-C4' energy: -128.392
flat angles P-C4'-P energy: -69.278
tors. eta vs tors. theta energy: -172.342
Dist. restrs. and SS energy: 15.092 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -2159.560614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2159.560614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2171.891178 (E_RNA)
where:
Base-Base interactions energy: -1504.303
where: short stacking energy: -635.987
Base-Backbone interact. energy: -3.236
local terms energy: -664.352402
where:
bonds (distance) C4'-P energy: -121.746
bonds (distance) P-C4' energy: -132.845
flat angles C4'-P-C4' energy: -141.128
flat angles P-C4'-P energy: -73.877
tors. eta vs tors. theta energy: -194.757
Dist. restrs. and SS energy: 12.331 (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: 2
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -1923.212762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1923.212762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1944.027436 (E_RNA)
where:
Base-Base interactions energy: -1347.308
where: short stacking energy: -580.270
Base-Backbone interact. energy: 1.949
local terms energy: -598.667805
where:
bonds (distance) C4'-P energy: -116.741
bonds (distance) P-C4' energy: -100.319
flat angles C4'-P-C4' energy: -125.488
flat angles P-C4'-P energy: -72.526
tors. eta vs tors. theta energy: -183.594
Dist. restrs. and SS energy: 20.815 (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: 8
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -2733.737585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2733.737585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2736.839134 (E_RNA)
where:
Base-Base interactions energy: -1925.972
where: short stacking energy: -830.352
Base-Backbone interact. energy: -3.189
local terms energy: -807.678032
where:
bonds (distance) C4'-P energy: -143.375
bonds (distance) P-C4' energy: -148.627
flat angles C4'-P-C4' energy: -161.930
flat angles P-C4'-P energy: -112.406
tors. eta vs tors. theta energy: -241.340
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: 2, replica: 10
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -2612.659041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2612.659041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2619.654734 (E_RNA)
where:
Base-Base interactions energy: -1832.245
where: short stacking energy: -756.232
Base-Backbone interact. energy: -2.515
local terms energy: -784.894573
where:
bonds (distance) C4'-P energy: -140.913
bonds (distance) P-C4' energy: -144.730
flat angles C4'-P-C4' energy: -159.987
flat angles P-C4'-P energy: -116.561
tors. eta vs tors. theta energy: -222.703
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: 3, replica: 9
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -2555.266472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2555.266472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2561.225845 (E_RNA)
where:
Base-Base interactions energy: -1800.101
where: short stacking energy: -756.128
Base-Backbone interact. energy: -1.999
local terms energy: -759.125688
where:
bonds (distance) C4'-P energy: -125.364
bonds (distance) P-C4' energy: -138.319
flat angles C4'-P-C4' energy: -165.794
flat angles P-C4'-P energy: -109.121
tors. eta vs tors. theta energy: -220.528
Dist. restrs. and SS energy: 5.959 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -2513.557607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2513.557607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2520.301568 (E_RNA)
where:
Base-Base interactions energy: -1756.106
where: short stacking energy: -747.964
Base-Backbone interact. energy: -3.850
local terms energy: -760.344750
where:
bonds (distance) C4'-P energy: -131.882
bonds (distance) P-C4' energy: -142.367
flat angles C4'-P-C4' energy: -170.721
flat angles P-C4'-P energy: -94.978
tors. eta vs tors. theta energy: -220.396
Dist. restrs. and SS energy: 6.744 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -2421.407013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2421.407013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2435.484755 (E_RNA)
where:
Base-Base interactions energy: -1701.321
where: short stacking energy: -748.161
Base-Backbone interact. energy: -0.490
local terms energy: -733.673817
where:
bonds (distance) C4'-P energy: -122.424
bonds (distance) P-C4' energy: -129.394
flat angles C4'-P-C4' energy: -160.915
flat angles P-C4'-P energy: -95.629
tors. eta vs tors. theta energy: -225.312
Dist. restrs. and SS energy: 14.078 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -2368.703302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2368.703302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2376.343189 (E_RNA)
where:
Base-Base interactions energy: -1692.165
where: short stacking energy: -704.446
Base-Backbone interact. energy: -2.754
local terms energy: -681.423284
where:
bonds (distance) C4'-P energy: -130.435
bonds (distance) P-C4' energy: -126.780
flat angles C4'-P-C4' energy: -136.335
flat angles P-C4'-P energy: -92.392
tors. eta vs tors. theta energy: -195.482
Dist. restrs. and SS energy: 7.640 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -2231.592548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2231.592548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2248.493675 (E_RNA)
where:
Base-Base interactions energy: -1601.151
where: short stacking energy: -668.662
Base-Backbone interact. energy: 6.610
local terms energy: -653.952555
where:
bonds (distance) C4'-P energy: -98.999
bonds (distance) P-C4' energy: -139.829
flat angles C4'-P-C4' energy: -131.353
flat angles P-C4'-P energy: -93.653
tors. eta vs tors. theta energy: -190.119
Dist. restrs. and SS energy: 16.901 (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: 1
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -2080.822018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2080.822018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2109.025597 (E_RNA)
where:
Base-Base interactions energy: -1477.418
where: short stacking energy: -602.901
Base-Backbone interact. energy: -2.130
local terms energy: -629.477647
where:
bonds (distance) C4'-P energy: -120.023
bonds (distance) P-C4' energy: -116.695
flat angles C4'-P-C4' energy: -134.299
flat angles P-C4'-P energy: -96.269
tors. eta vs tors. theta energy: -162.191
Dist. restrs. and SS energy: 28.204 (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: 6
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -2122.990066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2122.990066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2136.179980 (E_RNA)
where:
Base-Base interactions energy: -1499.181
where: short stacking energy: -627.792
Base-Backbone interact. energy: 3.219
local terms energy: -640.217825
where:
bonds (distance) C4'-P energy: -110.904
bonds (distance) P-C4' energy: -113.478
flat angles C4'-P-C4' energy: -139.305
flat angles P-C4'-P energy: -95.725
tors. eta vs tors. theta energy: -180.805
Dist. restrs. and SS energy: 13.190 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -1918.400046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1918.400046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1935.069286 (E_RNA)
where:
Base-Base interactions energy: -1376.145
where: short stacking energy: -538.183
Base-Backbone interact. energy: 2.482
local terms energy: -561.405879
where:
bonds (distance) C4'-P energy: -119.462
bonds (distance) P-C4' energy: -105.147
flat angles C4'-P-C4' energy: -111.316
flat angles P-C4'-P energy: -75.530
tors. eta vs tors. theta energy: -149.951
Dist. restrs. and SS energy: 16.669 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -2723.860959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2723.860959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2727.316782 (E_RNA)
where:
Base-Base interactions energy: -1927.621
where: short stacking energy: -815.396
Base-Backbone interact. energy: -4.221
local terms energy: -795.474986
where:
bonds (distance) C4'-P energy: -132.829
bonds (distance) P-C4' energy: -135.079
flat angles C4'-P-C4' energy: -177.631
flat angles P-C4'-P energy: -108.442
tors. eta vs tors. theta energy: -241.494
Dist. restrs. and SS energy: 3.456 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -2601.648419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2601.648419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2609.973259 (E_RNA)
where:
Base-Base interactions energy: -1811.914
where: short stacking energy: -758.611
Base-Backbone interact. energy: 1.026
local terms energy: -799.085217
where:
bonds (distance) C4'-P energy: -134.290
bonds (distance) P-C4' energy: -149.276
flat angles C4'-P-C4' energy: -165.520
flat angles P-C4'-P energy: -127.012
tors. eta vs tors. theta energy: -222.988
Dist. restrs. and SS energy: 8.325 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -2549.783539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2549.783539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2556.275202 (E_RNA)
where:
Base-Base interactions energy: -1778.201
where: short stacking energy: -759.668
Base-Backbone interact. energy: 0.272
local terms energy: -778.347114
where:
bonds (distance) C4'-P energy: -138.159
bonds (distance) P-C4' energy: -134.452
flat angles C4'-P-C4' energy: -160.377
flat angles P-C4'-P energy: -114.601
tors. eta vs tors. theta energy: -230.758
Dist. restrs. and SS energy: 6.492 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -2498.595129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2498.595129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2507.633192 (E_RNA)
where:
Base-Base interactions energy: -1736.396
where: short stacking energy: -732.768
Base-Backbone interact. energy: -8.090
local terms energy: -763.147048
where:
bonds (distance) C4'-P energy: -137.559
bonds (distance) P-C4' energy: -149.297
flat angles C4'-P-C4' energy: -158.777
flat angles P-C4'-P energy: -100.223
tors. eta vs tors. theta energy: -217.290
Dist. restrs. and SS energy: 9.038 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -2429.549326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2429.549326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2435.163602 (E_RNA)
where:
Base-Base interactions energy: -1698.424
where: short stacking energy: -714.162
Base-Backbone interact. energy: -0.950
local terms energy: -735.790066
where:
bonds (distance) C4'-P energy: -142.329
bonds (distance) P-C4' energy: -129.815
flat angles C4'-P-C4' energy: -148.858
flat angles P-C4'-P energy: -92.941
tors. eta vs tors. theta energy: -221.848
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: 6, replica: 5
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -2331.075850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2331.075850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2336.626185 (E_RNA)
where:
Base-Base interactions energy: -1634.169
where: short stacking energy: -671.073
Base-Backbone interact. energy: -1.423
local terms energy: -701.033910
where:
bonds (distance) C4'-P energy: -118.544
bonds (distance) P-C4' energy: -145.973
flat angles C4'-P-C4' energy: -141.199
flat angles P-C4'-P energy: -99.418
tors. eta vs tors. theta energy: -195.900
Dist. restrs. and SS energy: 5.550 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -2279.707997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2279.707997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2299.049367 (E_RNA)
where:
Base-Base interactions energy: -1636.348
where: short stacking energy: -688.770
Base-Backbone interact. energy: 0.008
local terms energy: -662.709452
where:
bonds (distance) C4'-P energy: -106.435
bonds (distance) P-C4' energy: -134.323
flat angles C4'-P-C4' energy: -151.232
flat angles P-C4'-P energy: -67.607
tors. eta vs tors. theta energy: -203.112
Dist. restrs. and SS energy: 19.341 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -2121.438598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2121.438598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2137.503198 (E_RNA)
where:
Base-Base interactions energy: -1505.650
where: short stacking energy: -639.299
Base-Backbone interact. energy: 2.190
local terms energy: -634.043051
where:
bonds (distance) C4'-P energy: -107.234
bonds (distance) P-C4' energy: -130.493
flat angles C4'-P-C4' energy: -126.775
flat angles P-C4'-P energy: -89.672
tors. eta vs tors. theta energy: -179.869
Dist. restrs. and SS energy: 16.065 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -2104.998900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2104.998900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2121.527030 (E_RNA)
where:
Base-Base interactions energy: -1497.444
where: short stacking energy: -624.689
Base-Backbone interact. energy: -2.374
local terms energy: -621.709279
where:
bonds (distance) C4'-P energy: -88.915
bonds (distance) P-C4' energy: -130.260
flat angles C4'-P-C4' energy: -141.086
flat angles P-C4'-P energy: -79.771
tors. eta vs tors. theta energy: -181.678
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: 2
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -1965.362623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1965.362623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1982.274700 (E_RNA)
where:
Base-Base interactions energy: -1379.351
where: short stacking energy: -564.259
Base-Backbone interact. energy: -0.025
local terms energy: -602.898592
where:
bonds (distance) C4'-P energy: -99.346
bonds (distance) P-C4' energy: -128.921
flat angles C4'-P-C4' energy: -136.175
flat angles P-C4'-P energy: -82.866
tors. eta vs tors. theta energy: -155.591
Dist. restrs. and SS energy: 16.912 (S_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: 167
Temperature: 0.900000
Total energy: -2697.656379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2697.656379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2701.126005 (E_RNA)
where:
Base-Base interactions energy: -1896.329
where: short stacking energy: -807.612
Base-Backbone interact. energy: -4.580
local terms energy: -800.217608
where:
bonds (distance) C4'-P energy: -141.802
bonds (distance) P-C4' energy: -140.142
flat angles C4'-P-C4' energy: -163.508
flat angles P-C4'-P energy: -126.089
tors. eta vs tors. theta energy: -228.677
Dist. restrs. and SS energy: 3.470 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -2597.776322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2597.776322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2602.459981 (E_RNA)
where:
Base-Base interactions energy: -1838.004
where: short stacking energy: -767.732
Base-Backbone interact. energy: 2.437
local terms energy: -766.892653
where:
bonds (distance) C4'-P energy: -125.011
bonds (distance) P-C4' energy: -133.537
flat angles C4'-P-C4' energy: -164.747
flat angles P-C4'-P energy: -124.986
tors. eta vs tors. theta energy: -218.612
Dist. restrs. and SS energy: 4.684 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -2551.701137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2551.701137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2560.127709 (E_RNA)
where:
Base-Base interactions energy: -1778.633
where: short stacking energy: -765.768
Base-Backbone interact. energy: -0.724
local terms energy: -780.770728
where:
bonds (distance) C4'-P energy: -133.638
bonds (distance) P-C4' energy: -140.415
flat angles C4'-P-C4' energy: -156.287
flat angles P-C4'-P energy: -117.988
tors. eta vs tors. theta energy: -232.443
Dist. restrs. and SS energy: 8.427 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -2507.333929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2507.333929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2517.270562 (E_RNA)
where:
Base-Base interactions energy: -1777.097
where: short stacking energy: -748.931
Base-Backbone interact. energy: 1.500
local terms energy: -741.673061
where:
bonds (distance) C4'-P energy: -131.774
bonds (distance) P-C4' energy: -131.973
flat angles C4'-P-C4' energy: -148.217
flat angles P-C4'-P energy: -108.869
tors. eta vs tors. theta energy: -220.841
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: 5, replica: 3
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -2433.348410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2433.348410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2439.637376 (E_RNA)
where:
Base-Base interactions energy: -1705.932
where: short stacking energy: -712.347
Base-Backbone interact. energy: 0.996
local terms energy: -734.701140
where:
bonds (distance) C4'-P energy: -115.460
bonds (distance) P-C4' energy: -128.918
flat angles C4'-P-C4' energy: -167.661
flat angles P-C4'-P energy: -104.748
tors. eta vs tors. theta energy: -217.915
Dist. restrs. and SS energy: 6.289 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -2419.982461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2419.982461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2428.661180 (E_RNA)
where:
Base-Base interactions energy: -1726.968
where: short stacking energy: -688.073
Base-Backbone interact. energy: -0.056
local terms energy: -701.637938
where:
bonds (distance) C4'-P energy: -106.239
bonds (distance) P-C4' energy: -137.251
flat angles C4'-P-C4' energy: -149.432
flat angles P-C4'-P energy: -91.769
tors. eta vs tors. theta energy: -216.947
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: 7, replica: 4
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -2242.691052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2242.691052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2258.077077 (E_RNA)
where:
Base-Base interactions energy: -1580.702
where: short stacking energy: -667.825
Base-Backbone interact. energy: -3.677
local terms energy: -673.697921
where:
bonds (distance) C4'-P energy: -118.658
bonds (distance) P-C4' energy: -115.603
flat angles C4'-P-C4' energy: -141.190
flat angles P-C4'-P energy: -97.021
tors. eta vs tors. theta energy: -201.225
Dist. restrs. and SS energy: 15.386 (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: 6
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -2157.809664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2157.809664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2167.250999 (E_RNA)
where:
Base-Base interactions energy: -1521.173
where: short stacking energy: -622.697
Base-Backbone interact. energy: 8.606
local terms energy: -654.683199
where:
bonds (distance) C4'-P energy: -124.055
bonds (distance) P-C4' energy: -133.424
flat angles C4'-P-C4' energy: -133.412
flat angles P-C4'-P energy: -78.221
tors. eta vs tors. theta energy: -185.571
Dist. restrs. and SS energy: 9.441 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -2061.960550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2061.960550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2079.866718 (E_RNA)
where:
Base-Base interactions energy: -1484.264
where: short stacking energy: -627.242
Base-Backbone interact. energy: -0.806
local terms energy: -594.796859
where:
bonds (distance) C4'-P energy: -96.809
bonds (distance) P-C4' energy: -109.827
flat angles C4'-P-C4' energy: -144.750
flat angles P-C4'-P energy: -72.874
tors. eta vs tors. theta energy: -170.537
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: 10, replica: 2
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -2008.597262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2008.597262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2031.592191 (E_RNA)
where:
Base-Base interactions energy: -1407.851
where: short stacking energy: -604.868
Base-Backbone interact. energy: 1.054
local terms energy: -624.794745
where:
bonds (distance) C4'-P energy: -106.125
bonds (distance) P-C4' energy: -111.997
flat angles C4'-P-C4' energy: -149.223
flat angles P-C4'-P energy: -84.434
tors. eta vs tors. theta energy: -173.015
Dist. restrs. and SS energy: 22.995 (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: 8
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -2710.424392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2710.424392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2714.403216 (E_RNA)
where:
Base-Base interactions energy: -1901.598
where: short stacking energy: -804.737
Base-Backbone interact. energy: -4.312
local terms energy: -808.493943
where:
bonds (distance) C4'-P energy: -135.237
bonds (distance) P-C4' energy: -135.998
flat angles C4'-P-C4' energy: -171.944
flat angles P-C4'-P energy: -123.754
tors. eta vs tors. theta energy: -241.561
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: 2, replica: 9
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -2578.839789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2578.839789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2584.386802 (E_RNA)
where:
Base-Base interactions energy: -1812.073
where: short stacking energy: -772.122
Base-Backbone interact. energy: -3.329
local terms energy: -768.985488
where:
bonds (distance) C4'-P energy: -138.064
bonds (distance) P-C4' energy: -139.565
flat angles C4'-P-C4' energy: -160.715
flat angles P-C4'-P energy: -116.220
tors. eta vs tors. theta energy: -214.422
Dist. restrs. and SS energy: 5.547 (S_DIST_RNA)
chem. 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: -2584.275386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2584.275386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2589.771853 (E_RNA)
where:
Base-Base interactions energy: -1809.644
where: short stacking energy: -771.630
Base-Backbone interact. energy: -2.373
local terms energy: -777.754429
where:
bonds (distance) C4'-P energy: -140.942
bonds (distance) P-C4' energy: -137.573
flat angles C4'-P-C4' energy: -150.863
flat angles P-C4'-P energy: -113.578
tors. eta vs tors. theta energy: -234.799
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: 7
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -2472.602564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2472.602564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2486.851514 (E_RNA)
where:
Base-Base interactions energy: -1748.438
where: short stacking energy: -754.283
Base-Backbone interact. energy: -0.787
local terms energy: -737.626043
where:
bonds (distance) C4'-P energy: -123.347
bonds (distance) P-C4' energy: -138.577
flat angles C4'-P-C4' energy: -144.976
flat angles P-C4'-P energy: -107.229
tors. eta vs tors. theta energy: -223.497
Dist. restrs. and SS energy: 14.249 (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: 3
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -2415.980836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2415.980836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2429.398812 (E_RNA)
where:
Base-Base interactions energy: -1690.121
where: short stacking energy: -719.908
Base-Backbone interact. energy: -4.617
local terms energy: -734.660517
where:
bonds (distance) C4'-P energy: -129.748
bonds (distance) P-C4' energy: -117.212
flat angles C4'-P-C4' energy: -168.477
flat angles P-C4'-P energy: -104.351
tors. eta vs tors. theta energy: -214.872
Dist. restrs. and SS energy: 13.418 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -2378.190351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2378.190351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2385.836499 (E_RNA)
where:
Base-Base interactions energy: -1686.507
where: short stacking energy: -710.101
Base-Backbone interact. energy: 0.875
local terms energy: -700.204869
where:
bonds (distance) C4'-P energy: -125.012
bonds (distance) P-C4' energy: -118.872
flat angles C4'-P-C4' energy: -138.576
flat angles P-C4'-P energy: -98.649
tors. eta vs tors. theta energy: -219.095
Dist. restrs. and SS energy: 7.646 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -2250.057474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2250.057474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2264.436668 (E_RNA)
where:
Base-Base interactions energy: -1569.769
where: short stacking energy: -662.933
Base-Backbone interact. energy: -2.634
local terms energy: -692.033844
where:
bonds (distance) C4'-P energy: -118.723
bonds (distance) P-C4' energy: -133.500
flat angles C4'-P-C4' energy: -146.600
flat angles P-C4'-P energy: -89.697
tors. eta vs tors. theta energy: -203.514
Dist. restrs. and SS energy: 14.379 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -2203.231342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2203.231342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2214.589611 (E_RNA)
where:
Base-Base interactions energy: -1555.541
where: short stacking energy: -650.047
Base-Backbone interact. energy: -1.209
local terms energy: -657.839306
where:
bonds (distance) C4'-P energy: -130.974
bonds (distance) P-C4' energy: -110.358
flat angles C4'-P-C4' energy: -126.491
flat angles P-C4'-P energy: -91.199
tors. eta vs tors. theta energy: -198.817
Dist. restrs. and SS energy: 11.358 (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: 2
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -2072.025259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2072.025259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2080.116546 (E_RNA)
where:
Base-Base interactions energy: -1479.581
where: short stacking energy: -620.427
Base-Backbone interact. energy: -2.747
local terms energy: -597.788742
where:
bonds (distance) C4'-P energy: -98.420
bonds (distance) P-C4' energy: -120.864
flat angles C4'-P-C4' energy: -130.403
flat angles P-C4'-P energy: -74.028
tors. eta vs tors. theta energy: -174.073
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: 10, replica: 1
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -1959.295515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.295515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1982.076356 (E_RNA)
where:
Base-Base interactions energy: -1371.471
where: short stacking energy: -572.847
Base-Backbone interact. energy: -1.620
local terms energy: -608.985461
where:
bonds (distance) C4'-P energy: -113.056
bonds (distance) P-C4' energy: -121.096
flat angles C4'-P-C4' energy: -143.052
flat angles P-C4'-P energy: -83.545
tors. eta vs tors. theta energy: -148.236
Dist. restrs. and SS energy: 22.781 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -2726.984443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2726.984443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2729.958267 (E_RNA)
where:
Base-Base interactions energy: -1919.723
where: short stacking energy: -782.164
Base-Backbone interact. energy: 0.181
local terms energy: -810.416853
where:
bonds (distance) C4'-P energy: -139.328
bonds (distance) P-C4' energy: -150.725
flat angles C4'-P-C4' energy: -167.782
flat angles P-C4'-P energy: -118.660
tors. eta vs tors. theta energy: -233.922
Dist. restrs. and SS energy: 2.974 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -2616.181845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2616.181845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2624.529536 (E_RNA)
where:
Base-Base interactions energy: -1847.173
where: short stacking energy: -790.113
Base-Backbone interact. energy: -1.748
local terms energy: -775.608982
where:
bonds (distance) C4'-P energy: -130.679
bonds (distance) P-C4' energy: -144.288
flat angles C4'-P-C4' energy: -162.976
flat angles P-C4'-P energy: -108.701
tors. eta vs tors. theta energy: -228.964
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: 3, replica: 10
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -2516.900536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2516.900536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2522.187143 (E_RNA)
where:
Base-Base interactions energy: -1762.399
where: short stacking energy: -737.759
Base-Backbone interact. energy: 0.597
local terms energy: -760.385045
where:
bonds (distance) C4'-P energy: -129.315
bonds (distance) P-C4' energy: -138.361
flat angles C4'-P-C4' energy: -161.246
flat angles P-C4'-P energy: -101.570
tors. eta vs tors. theta energy: -229.893
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: 4, replica: 3
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -2507.507125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2507.507125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2516.453438 (E_RNA)
where:
Base-Base interactions energy: -1742.747
where: short stacking energy: -744.615
Base-Backbone interact. energy: -2.764
local terms energy: -770.942362
where:
bonds (distance) C4'-P energy: -127.359
bonds (distance) P-C4' energy: -148.176
flat angles C4'-P-C4' energy: -151.043
flat angles P-C4'-P energy: -110.154
tors. eta vs tors. theta energy: -234.211
Dist. restrs. and SS energy: 8.946 (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: 7
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -2436.039324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2436.039324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2441.657938 (E_RNA)
where:
Base-Base interactions energy: -1712.139
where: short stacking energy: -722.624
Base-Backbone interact. energy: -2.676
local terms energy: -726.842967
where:
bonds (distance) C4'-P energy: -121.024
bonds (distance) P-C4' energy: -134.821
flat angles C4'-P-C4' energy: -160.165
flat angles P-C4'-P energy: -107.262
tors. eta vs tors. theta energy: -203.570
Dist. restrs. and SS energy: 5.619 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -2352.911385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2352.911385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2362.133750 (E_RNA)
where:
Base-Base interactions energy: -1650.677
where: short stacking energy: -692.684
Base-Backbone interact. energy: -0.783
local terms energy: -710.673603
where:
bonds (distance) C4'-P energy: -135.178
bonds (distance) P-C4' energy: -121.383
flat angles C4'-P-C4' energy: -149.167
flat angles P-C4'-P energy: -93.885
tors. eta vs tors. theta energy: -211.061
Dist. restrs. and SS energy: 9.222 (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: 6
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -2230.934936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2230.934936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2245.132112 (E_RNA)
where:
Base-Base interactions energy: -1560.374
where: short stacking energy: -649.709
Base-Backbone interact. energy: 4.822
local terms energy: -689.579910
where:
bonds (distance) C4'-P energy: -118.757
bonds (distance) P-C4' energy: -125.945
flat angles C4'-P-C4' energy: -163.587
flat angles P-C4'-P energy: -87.514
tors. eta vs tors. theta energy: -193.778
Dist. restrs. and SS energy: 14.197 (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: 4
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -2189.425013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2189.425013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2205.833994 (E_RNA)
where:
Base-Base interactions energy: -1563.621
where: short stacking energy: -634.439
Base-Backbone interact. energy: 1.692
local terms energy: -643.905494
where:
bonds (distance) C4'-P energy: -111.273
bonds (distance) P-C4' energy: -112.263
flat angles C4'-P-C4' energy: -144.198
flat angles P-C4'-P energy: -94.267
tors. eta vs tors. theta energy: -181.905
Dist. restrs. and SS energy: 16.409 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -2022.919509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2022.919509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2037.575334 (E_RNA)
where:
Base-Base interactions energy: -1409.453
where: short stacking energy: -599.153
Base-Backbone interact. energy: -0.673
local terms energy: -627.449390
where:
bonds (distance) C4'-P energy: -144.652
bonds (distance) P-C4' energy: -103.350
flat angles C4'-P-C4' energy: -119.697
flat angles P-C4'-P energy: -89.081
tors. eta vs tors. theta energy: -170.669
Dist. restrs. and SS energy: 14.656 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -1950.009471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.009471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.670628 (E_RNA)
where:
Base-Base interactions energy: -1376.501
where: short stacking energy: -569.954
Base-Backbone interact. energy: -3.097
local terms energy: -587.073051
where:
bonds (distance) C4'-P energy: -127.071
bonds (distance) P-C4' energy: -101.513
flat angles C4'-P-C4' energy: -131.406
flat angles P-C4'-P energy: -69.563
tors. eta vs tors. theta energy: -157.520
Dist. restrs. and SS energy: 16.661 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -2724.652569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2724.652569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2727.752041 (E_RNA)
where:
Base-Base interactions energy: -1890.418
where: short stacking energy: -796.301
Base-Backbone interact. energy: -2.747
local terms energy: -834.586652
where:
bonds (distance) C4'-P energy: -151.644
bonds (distance) P-C4' energy: -149.910
flat angles C4'-P-C4' energy: -174.386
flat angles P-C4'-P energy: -119.022
tors. eta vs tors. theta energy: -239.624
Dist. restrs. and SS energy: 3.099 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -2623.228286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2623.228286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2627.828409 (E_RNA)
where:
Base-Base interactions energy: -1830.634
where: short stacking energy: -753.762
Base-Backbone interact. energy: -1.651
local terms energy: -795.543084
where:
bonds (distance) C4'-P energy: -135.720
bonds (distance) P-C4' energy: -158.285
flat angles C4'-P-C4' energy: -167.580
flat angles P-C4'-P energy: -111.770
tors. eta vs tors. theta energy: -222.189
Dist. restrs. and SS energy: 4.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -2569.701985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2569.701985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2575.591998 (E_RNA)
where:
Base-Base interactions energy: -1816.365
where: short stacking energy: -797.272
Base-Backbone interact. energy: -2.560
local terms energy: -756.666559
where:
bonds (distance) C4'-P energy: -124.239
bonds (distance) P-C4' energy: -138.963
flat angles C4'-P-C4' energy: -154.670
flat angles P-C4'-P energy: -97.403
tors. eta vs tors. theta energy: -241.391
Dist. restrs. and SS energy: 5.890 (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: 3
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -2517.621684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2517.621684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2525.836524 (E_RNA)
where:
Base-Base interactions energy: -1790.011
where: short stacking energy: -746.389
Base-Backbone interact. energy: 1.692
local terms energy: -737.517849
where:
bonds (distance) C4'-P energy: -126.922
bonds (distance) P-C4' energy: -126.922
flat angles C4'-P-C4' energy: -154.896
flat angles P-C4'-P energy: -108.465
tors. eta vs tors. theta energy: -220.312
Dist. restrs. and SS energy: 8.215 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -2429.687507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2429.687507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2438.860673 (E_RNA)
where:
Base-Base interactions energy: -1722.445
where: short stacking energy: -721.005
Base-Backbone interact. energy: -2.413
local terms energy: -714.002825
where:
bonds (distance) C4'-P energy: -126.361
bonds (distance) P-C4' energy: -142.665
flat angles C4'-P-C4' energy: -139.612
flat angles P-C4'-P energy: -86.228
tors. eta vs tors. theta energy: -219.136
Dist. restrs. and SS energy: 9.173 (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: 5
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -2365.025613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2365.025613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2372.618912 (E_RNA)
where:
Base-Base interactions energy: -1641.577
where: short stacking energy: -693.199
Base-Backbone interact. energy: 0.257
local terms energy: -731.298743
where:
bonds (distance) C4'-P energy: -139.903
bonds (distance) P-C4' energy: -137.427
flat angles C4'-P-C4' energy: -155.873
flat angles P-C4'-P energy: -95.150
tors. eta vs tors. theta energy: -202.945
Dist. restrs. and SS energy: 7.593 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -2225.456033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2225.456033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2236.546063 (E_RNA)
where:
Base-Base interactions energy: -1562.676
where: short stacking energy: -645.495
Base-Backbone interact. energy: -1.165
local terms energy: -672.704540
where:
bonds (distance) C4'-P energy: -117.695
bonds (distance) P-C4' energy: -134.107
flat angles C4'-P-C4' energy: -130.090
flat angles P-C4'-P energy: -96.188
tors. eta vs tors. theta energy: -194.624
Dist. restrs. and SS energy: 11.090 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -2183.388749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2183.388749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2199.973639 (E_RNA)
where:
Base-Base interactions energy: -1503.722
where: short stacking energy: -628.203
Base-Backbone interact. energy: -2.171
local terms energy: -694.080595
where:
bonds (distance) C4'-P energy: -130.728
bonds (distance) P-C4' energy: -126.937
flat angles C4'-P-C4' energy: -141.423
flat angles P-C4'-P energy: -94.567
tors. eta vs tors. theta energy: -200.425
Dist. restrs. and SS energy: 16.585 (S_DIST_RNA)
chem. 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: -2094.124213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2094.124213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2104.150817 (E_RNA)
where:
Base-Base interactions energy: -1486.850
where: short stacking energy: -618.979
Base-Backbone interact. energy: -0.032
local terms energy: -617.268996
where:
bonds (distance) C4'-P energy: -84.991
bonds (distance) P-C4' energy: -106.045
flat angles C4'-P-C4' energy: -142.922
flat angles P-C4'-P energy: -93.338
tors. eta vs tors. theta energy: -189.973
Dist. restrs. and SS energy: 10.027 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -1909.613593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1909.613593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.024403 (E_RNA)
where:
Base-Base interactions energy: -1359.440
where: short stacking energy: -538.311
Base-Backbone interact. energy: 0.865
local terms energy: -572.449352
where:
bonds (distance) C4'-P energy: -122.450
bonds (distance) P-C4' energy: -101.271
flat angles C4'-P-C4' energy: -126.503
flat angles P-C4'-P energy: -85.563
tors. eta vs tors. theta energy: -136.662
Dist. restrs. and SS energy: 21.411 (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: 8
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -2745.409135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2745.409135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2748.829213 (E_RNA)
where:
Base-Base interactions energy: -1922.030
where: short stacking energy: -819.313
Base-Backbone interact. energy: -2.934
local terms energy: -823.865493
where:
bonds (distance) C4'-P energy: -152.342
bonds (distance) P-C4' energy: -141.950
flat angles C4'-P-C4' energy: -165.123
flat angles P-C4'-P energy: -127.514
tors. eta vs tors. theta energy: -236.937
Dist. restrs. and SS energy: 3.420 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -2617.345134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2617.345134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2623.822019 (E_RNA)
where:
Base-Base interactions energy: -1829.075
where: short stacking energy: -758.516
Base-Backbone interact. energy: -3.125
local terms energy: -791.621539
where:
bonds (distance) C4'-P energy: -137.875
bonds (distance) P-C4' energy: -143.540
flat angles C4'-P-C4' energy: -170.475
flat angles P-C4'-P energy: -115.275
tors. eta vs tors. theta energy: -224.456
Dist. restrs. and SS energy: 6.477 (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: 10
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -2569.217236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2569.217236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2578.779100 (E_RNA)
where:
Base-Base interactions energy: -1789.371
where: short stacking energy: -759.390
Base-Backbone interact. energy: 0.101
local terms energy: -789.509137
where:
bonds (distance) C4'-P energy: -132.895
bonds (distance) P-C4' energy: -133.262
flat angles C4'-P-C4' energy: -168.291
flat angles P-C4'-P energy: -120.169
tors. eta vs tors. theta energy: -234.893
Dist. restrs. and SS energy: 9.562 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -2501.217244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2501.217244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2509.199534 (E_RNA)
where:
Base-Base interactions energy: -1763.725
where: short stacking energy: -744.823
Base-Backbone interact. energy: -2.283
local terms energy: -743.192287
where:
bonds (distance) C4'-P energy: -126.099
bonds (distance) P-C4' energy: -136.180
flat angles C4'-P-C4' energy: -153.968
flat angles P-C4'-P energy: -97.956
tors. eta vs tors. theta energy: -228.990
Dist. restrs. and SS energy: 7.982 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -2398.315183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2398.315183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2410.970296 (E_RNA)
where:
Base-Base interactions energy: -1697.832
where: short stacking energy: -719.091
Base-Backbone interact. energy: -1.975
local terms energy: -711.162794
where:
bonds (distance) C4'-P energy: -110.944
bonds (distance) P-C4' energy: -128.920
flat angles C4'-P-C4' energy: -152.358
flat angles P-C4'-P energy: -110.691
tors. eta vs tors. theta energy: -208.250
Dist. restrs. and SS energy: 12.655 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -2356.395663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2356.395663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2365.019048 (E_RNA)
where:
Base-Base interactions energy: -1663.973
where: short stacking energy: -701.348
Base-Backbone interact. energy: 1.392
local terms energy: -702.437840
where:
bonds (distance) C4'-P energy: -123.824
bonds (distance) P-C4' energy: -135.083
flat angles C4'-P-C4' energy: -150.952
flat angles P-C4'-P energy: -87.593
tors. eta vs tors. theta energy: -204.987
Dist. restrs. and SS energy: 8.623 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -2277.898108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2277.898108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2286.310381 (E_RNA)
where:
Base-Base interactions energy: -1611.103
where: short stacking energy: -684.383
Base-Backbone interact. energy: -4.241
local terms energy: -670.966194
where:
bonds (distance) C4'-P energy: -119.275
bonds (distance) P-C4' energy: -133.379
flat angles C4'-P-C4' energy: -147.992
flat angles P-C4'-P energy: -89.989
tors. eta vs tors. theta energy: -180.331
Dist. restrs. and SS energy: 8.412 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -2224.473855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2224.473855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2238.478238 (E_RNA)
where:
Base-Base interactions energy: -1572.308
where: short stacking energy: -646.899
Base-Backbone interact. energy: 3.459
local terms energy: -669.629105
where:
bonds (distance) C4'-P energy: -106.642
bonds (distance) P-C4' energy: -119.383
flat angles C4'-P-C4' energy: -145.587
flat angles P-C4'-P energy: -96.891
tors. eta vs tors. theta energy: -201.125
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: 9, replica: 2
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -2085.620468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2085.620468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2101.019276 (E_RNA)
where:
Base-Base interactions energy: -1455.819
where: short stacking energy: -627.408
Base-Backbone interact. energy: -2.791
local terms energy: -642.409078
where:
bonds (distance) C4'-P energy: -101.202
bonds (distance) P-C4' energy: -130.684
flat angles C4'-P-C4' energy: -140.173
flat angles P-C4'-P energy: -90.684
tors. eta vs tors. theta energy: -179.666
Dist. restrs. and SS energy: 15.399 (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: 1
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -1935.667872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1935.667872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1954.597075 (E_RNA)
where:
Base-Base interactions energy: -1422.466
where: short stacking energy: -572.492
Base-Backbone interact. energy: -4.613
local terms energy: -527.517264
where:
bonds (distance) C4'-P energy: -98.339
bonds (distance) P-C4' energy: -110.250
flat angles C4'-P-C4' energy: -122.260
flat angles P-C4'-P energy: -56.519
tors. eta vs tors. theta energy: -140.148
Dist. restrs. and SS energy: 18.929 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -2753.839110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2753.839110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2758.408843 (E_RNA)
where:
Base-Base interactions energy: -1924.954
where: short stacking energy: -837.428
Base-Backbone interact. energy: -2.405
local terms energy: -831.049916
where:
bonds (distance) C4'-P energy: -145.429
bonds (distance) P-C4' energy: -158.664
flat angles C4'-P-C4' energy: -169.472
flat angles P-C4'-P energy: -115.344
tors. eta vs tors. theta energy: -242.141
Dist. restrs. and SS energy: 4.570 (S_DIST_RNA)
chem. 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: -2596.258269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2596.258269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2601.427942 (E_RNA)
where:
Base-Base interactions energy: -1812.714
where: short stacking energy: -744.150
Base-Backbone interact. energy: -5.012
local terms energy: -783.701972
where:
bonds (distance) C4'-P energy: -130.296
bonds (distance) P-C4' energy: -144.236
flat angles C4'-P-C4' energy: -178.093
flat angles P-C4'-P energy: -114.818
tors. eta vs tors. theta energy: -216.258
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: 3, replica: 10
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -2576.812441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2576.812441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2589.312710 (E_RNA)
where:
Base-Base interactions energy: -1778.634
where: short stacking energy: -782.754
Base-Backbone interact. energy: -2.434
local terms energy: -808.244612
where:
bonds (distance) C4'-P energy: -141.853
bonds (distance) P-C4' energy: -140.478
flat angles C4'-P-C4' energy: -174.112
flat angles P-C4'-P energy: -115.678
tors. eta vs tors. theta energy: -236.122
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: 4, replica: 3
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -2501.324937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2501.324937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2512.376141 (E_RNA)
where:
Base-Base interactions energy: -1741.354
where: short stacking energy: -732.581
Base-Backbone interact. energy: -1.865
local terms energy: -769.156943
where:
bonds (distance) C4'-P energy: -148.664
bonds (distance) P-C4' energy: -129.522
flat angles C4'-P-C4' energy: -158.118
flat angles P-C4'-P energy: -112.551
tors. eta vs tors. theta energy: -220.303
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: 5, replica: 5
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -2408.850539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2408.850539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2418.661659 (E_RNA)
where:
Base-Base interactions energy: -1699.688
where: short stacking energy: -714.537
Base-Backbone interact. energy: -2.620
local terms energy: -716.352956
where:
bonds (distance) C4'-P energy: -121.216
bonds (distance) P-C4' energy: -130.383
flat angles C4'-P-C4' energy: -168.785
flat angles P-C4'-P energy: -98.890
tors. eta vs tors. theta energy: -197.078
Dist. restrs. and SS energy: 9.811 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -2372.378013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2372.378013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2388.643771 (E_RNA)
where:
Base-Base interactions energy: -1694.537
where: short stacking energy: -720.497
Base-Backbone interact. energy: -1.894
local terms energy: -692.212759
where:
bonds (distance) C4'-P energy: -110.609
bonds (distance) P-C4' energy: -121.472
flat angles C4'-P-C4' energy: -137.693
flat angles P-C4'-P energy: -106.068
tors. eta vs tors. theta energy: -216.371
Dist. restrs. and SS energy: 16.266 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -2267.421782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2267.421782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2284.466464 (E_RNA)
where:
Base-Base interactions energy: -1606.545
where: short stacking energy: -686.269
Base-Backbone interact. energy: -1.202
local terms energy: -676.719101
where:
bonds (distance) C4'-P energy: -118.268
bonds (distance) P-C4' energy: -112.991
flat angles C4'-P-C4' energy: -153.183
flat angles P-C4'-P energy: -98.027
tors. eta vs tors. theta energy: -194.250
Dist. restrs. and SS energy: 17.045 (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: 6
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -2176.430299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2176.430299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2185.444125 (E_RNA)
where:
Base-Base interactions energy: -1542.617
where: short stacking energy: -623.114
Base-Backbone interact. energy: 2.267
local terms energy: -645.094008
where:
bonds (distance) C4'-P energy: -110.624
bonds (distance) P-C4' energy: -119.208
flat angles C4'-P-C4' energy: -131.597
flat angles P-C4'-P energy: -91.487
tors. eta vs tors. theta energy: -192.179
Dist. restrs. and SS energy: 9.014 (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: 2
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -2121.674872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2121.674872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2134.158458 (E_RNA)
where:
Base-Base interactions energy: -1489.059
where: short stacking energy: -649.167
Base-Backbone interact. energy: 4.484
local terms energy: -649.584353
where:
bonds (distance) C4'-P energy: -109.389
bonds (distance) P-C4' energy: -121.130
flat angles C4'-P-C4' energy: -132.570
flat angles P-C4'-P energy: -87.746
tors. eta vs tors. theta energy: -198.748
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: 10, replica: 1
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -1958.692346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1958.692346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1985.736671 (E_RNA)
where:
Base-Base interactions energy: -1397.720
where: short stacking energy: -536.498
Base-Backbone interact. energy: 1.556
local terms energy: -589.572367
where:
bonds (distance) C4'-P energy: -124.686
bonds (distance) P-C4' energy: -104.887
flat angles C4'-P-C4' energy: -123.401
flat angles P-C4'-P energy: -86.302
tors. eta vs tors. theta energy: -150.296
Dist. restrs. and SS energy: 27.044 (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: 8
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -2745.781145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2745.781145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2749.535128 (E_RNA)
where:
Base-Base interactions energy: -1918.465
where: short stacking energy: -827.746
Base-Backbone interact. energy: -1.655
local terms energy: -829.415083
where:
bonds (distance) C4'-P energy: -154.319
bonds (distance) P-C4' energy: -135.149
flat angles C4'-P-C4' energy: -169.327
flat angles P-C4'-P energy: -130.621
tors. eta vs tors. theta energy: -239.999
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: 2, replica: 10
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -2628.997289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2628.997289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2641.153885 (E_RNA)
where:
Base-Base interactions energy: -1857.556
where: short stacking energy: -803.661
Base-Backbone interact. energy: -1.022
local terms energy: -782.576544
where:
bonds (distance) C4'-P energy: -127.504
bonds (distance) P-C4' energy: -147.328
flat angles C4'-P-C4' energy: -154.646
flat angles P-C4'-P energy: -104.718
tors. eta vs tors. theta energy: -248.381
Dist. restrs. and SS energy: 12.157 (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: 9
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -2540.887592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2540.887592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2544.920623 (E_RNA)
where:
Base-Base interactions energy: -1770.489
where: short stacking energy: -722.375
Base-Backbone interact. energy: -2.261
local terms energy: -772.170362
where:
bonds (distance) C4'-P energy: -151.657
bonds (distance) P-C4' energy: -145.096
flat angles C4'-P-C4' energy: -154.555
flat angles P-C4'-P energy: -107.599
tors. eta vs tors. theta energy: -213.263
Dist. restrs. and SS energy: 4.033 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -2496.101502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2496.101502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2502.839003 (E_RNA)
where:
Base-Base interactions energy: -1752.035
where: short stacking energy: -720.009
Base-Backbone interact. energy: -4.230
local terms energy: -746.573612
where:
bonds (distance) C4'-P energy: -122.690
bonds (distance) P-C4' energy: -145.566
flat angles C4'-P-C4' energy: -164.058
flat angles P-C4'-P energy: -93.449
tors. eta vs tors. theta energy: -220.811
Dist. restrs. and SS energy: 6.738 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -2438.502574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2438.502574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2445.467632 (E_RNA)
where:
Base-Base interactions energy: -1740.267
where: short stacking energy: -719.677
Base-Backbone interact. energy: -2.559
local terms energy: -702.642255
where:
bonds (distance) C4'-P energy: -125.600
bonds (distance) P-C4' energy: -113.680
flat angles C4'-P-C4' energy: -154.105
flat angles P-C4'-P energy: -95.303
tors. eta vs tors. theta energy: -213.954
Dist. restrs. and SS energy: 6.965 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -2308.955871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2308.955871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2316.448288 (E_RNA)
where:
Base-Base interactions energy: -1641.504
where: short stacking energy: -672.345
Base-Backbone interact. energy: -3.815
local terms energy: -671.129087
where:
bonds (distance) C4'-P energy: -130.565
bonds (distance) P-C4' energy: -110.243
flat angles C4'-P-C4' energy: -151.136
flat angles P-C4'-P energy: -85.840
tors. eta vs tors. theta energy: -193.345
Dist. restrs. and SS energy: 7.492 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -2281.368306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2281.368306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2298.987079 (E_RNA)
where:
Base-Base interactions energy: -1586.774
where: short stacking energy: -686.379
Base-Backbone interact. energy: -2.510
local terms energy: -709.703243
where:
bonds (distance) C4'-P energy: -117.116
bonds (distance) P-C4' energy: -127.160
flat angles C4'-P-C4' energy: -158.641
flat angles P-C4'-P energy: -105.356
tors. eta vs tors. theta energy: -201.430
Dist. restrs. and SS energy: 17.619 (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: 173
Temperature: 1.250000
Total energy: -2177.166753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2177.166753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2185.739209 (E_RNA)
where:
Base-Base interactions energy: -1542.951
where: short stacking energy: -625.760
Base-Backbone interact. energy: 1.427
local terms energy: -644.214996
where:
bonds (distance) C4'-P energy: -113.658
bonds (distance) P-C4' energy: -129.500
flat angles C4'-P-C4' energy: -141.851
flat angles P-C4'-P energy: -79.351
tors. eta vs tors. theta energy: -179.855
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: 9, replica: 6
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -2146.042371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2146.042371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2158.323282 (E_RNA)
where:
Base-Base interactions energy: -1514.581
where: short stacking energy: -635.006
Base-Backbone interact. energy: 2.357
local terms energy: -646.099742
where:
bonds (distance) C4'-P energy: -117.323
bonds (distance) P-C4' energy: -107.120
flat angles C4'-P-C4' energy: -141.908
flat angles P-C4'-P energy: -102.515
tors. eta vs tors. theta energy: -177.234
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: 10, replica: 1
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -1949.969413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.969413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1963.651553 (E_RNA)
where:
Base-Base interactions energy: -1363.463
where: short stacking energy: -565.508
Base-Backbone interact. energy: 1.307
local terms energy: -601.495092
where:
bonds (distance) C4'-P energy: -106.259
bonds (distance) P-C4' energy: -104.572
flat angles C4'-P-C4' energy: -125.905
flat angles P-C4'-P energy: -85.104
tors. eta vs tors. theta energy: -179.656
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: 1, replica: 8
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -2716.452042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2716.452042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2721.864229 (E_RNA)
where:
Base-Base interactions energy: -1892.963
where: short stacking energy: -808.861
Base-Backbone interact. energy: -2.068
local terms energy: -826.833114
where:
bonds (distance) C4'-P energy: -158.625
bonds (distance) P-C4' energy: -139.513
flat angles C4'-P-C4' energy: -165.758
flat angles P-C4'-P energy: -126.531
tors. eta vs tors. theta energy: -236.406
Dist. restrs. and SS energy: 5.412 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -2608.016531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2608.016531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2617.221070 (E_RNA)
where:
Base-Base interactions energy: -1827.315
where: short stacking energy: -792.408
Base-Backbone interact. energy: -2.604
local terms energy: -787.302179
where:
bonds (distance) C4'-P energy: -137.993
bonds (distance) P-C4' energy: -140.570
flat angles C4'-P-C4' energy: -158.156
flat angles P-C4'-P energy: -113.633
tors. eta vs tors. theta energy: -236.951
Dist. restrs. and SS energy: 9.205 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -2556.662325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2556.662325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2569.634791 (E_RNA)
where:
Base-Base interactions energy: -1807.449
where: short stacking energy: -755.459
Base-Backbone interact. energy: 1.597
local terms energy: -763.782612
where:
bonds (distance) C4'-P energy: -120.350
bonds (distance) P-C4' energy: -139.217
flat angles C4'-P-C4' energy: -161.894
flat angles P-C4'-P energy: -104.987
tors. eta vs tors. theta energy: -237.335
Dist. restrs. and SS energy: 12.972 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -2471.212498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2471.212498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2479.351444 (E_RNA)
where:
Base-Base interactions energy: -1751.048
where: short stacking energy: -737.604
Base-Backbone interact. energy: -1.567
local terms energy: -726.736726
where:
bonds (distance) C4'-P energy: -128.570
bonds (distance) P-C4' energy: -132.514
flat angles C4'-P-C4' energy: -150.230
flat angles P-C4'-P energy: -82.201
tors. eta vs tors. theta energy: -233.221
Dist. restrs. and SS energy: 8.139 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -2481.403402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2481.403402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2490.943681 (E_RNA)
where:
Base-Base interactions energy: -1777.745
where: short stacking energy: -721.900
Base-Backbone interact. energy: 3.219
local terms energy: -716.417307
where:
bonds (distance) C4'-P energy: -124.710
bonds (distance) P-C4' energy: -127.940
flat angles C4'-P-C4' energy: -148.682
flat angles P-C4'-P energy: -91.793
tors. eta vs tors. theta energy: -223.293
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: 6, replica: 7
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -2338.566977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2338.566977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2350.803626 (E_RNA)
where:
Base-Base interactions energy: -1647.164
where: short stacking energy: -709.445
Base-Backbone interact. energy: -3.440
local terms energy: -700.199772
where:
bonds (distance) C4'-P energy: -121.938
bonds (distance) P-C4' energy: -119.276
flat angles C4'-P-C4' energy: -144.384
flat angles P-C4'-P energy: -101.387
tors. eta vs tors. theta energy: -213.215
Dist. restrs. and SS energy: 12.237 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -2278.504227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2278.504227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2285.771032 (E_RNA)
where:
Base-Base interactions energy: -1583.407
where: short stacking energy: -684.502
Base-Backbone interact. energy: -3.662
local terms energy: -698.702016
where:
bonds (distance) C4'-P energy: -118.886
bonds (distance) P-C4' energy: -120.397
flat angles C4'-P-C4' energy: -161.731
flat angles P-C4'-P energy: -96.534
tors. eta vs tors. theta energy: -201.154
Dist. restrs. and SS energy: 7.267 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -2217.640907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2217.640907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2236.835388 (E_RNA)
where:
Base-Base interactions energy: -1549.347
where: short stacking energy: -648.829
Base-Backbone interact. energy: 1.165
local terms energy: -688.653840
where:
bonds (distance) C4'-P energy: -129.323
bonds (distance) P-C4' energy: -120.533
flat angles C4'-P-C4' energy: -145.389
flat angles P-C4'-P energy: -92.434
tors. eta vs tors. theta energy: -200.975
Dist. restrs. and SS energy: 19.194 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -2121.348991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2121.348991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2133.613574 (E_RNA)
where:
Base-Base interactions energy: -1527.057
where: short stacking energy: -617.471
Base-Backbone interact. energy: -0.353
local terms energy: -606.203044
where:
bonds (distance) C4'-P energy: -103.211
bonds (distance) P-C4' energy: -132.944
flat angles C4'-P-C4' energy: -111.694
flat angles P-C4'-P energy: -85.616
tors. eta vs tors. theta energy: -172.737
Dist. restrs. and SS energy: 12.265 (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: 1
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -1900.453736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1900.453736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.468850 (E_RNA)
where:
Base-Base interactions energy: -1357.055
where: short stacking energy: -562.068
Base-Backbone interact. energy: 1.474
local terms energy: -560.887359
where:
bonds (distance) C4'-P energy: -100.734
bonds (distance) P-C4' energy: -98.771
flat angles C4'-P-C4' energy: -127.260
flat angles P-C4'-P energy: -80.821
tors. eta vs tors. theta energy: -153.301
Dist. restrs. and SS energy: 16.015 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -2737.605827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2737.605827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2739.862637 (E_RNA)
where:
Base-Base interactions energy: -1910.396
where: short stacking energy: -808.395
Base-Backbone interact. energy: -2.127
local terms energy: -827.339934
where:
bonds (distance) C4'-P energy: -140.845
bonds (distance) P-C4' energy: -146.526
flat angles C4'-P-C4' energy: -182.574
flat angles P-C4'-P energy: -113.887
tors. eta vs tors. theta energy: -243.509
Dist. restrs. and SS energy: 2.257 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -2604.013683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2604.013683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2614.775684 (E_RNA)
where:
Base-Base interactions energy: -1815.786
where: short stacking energy: -779.034
Base-Backbone interact. energy: -3.223
local terms energy: -795.766344
where:
bonds (distance) C4'-P energy: -144.306
bonds (distance) P-C4' energy: -144.751
flat angles C4'-P-C4' energy: -171.858
flat angles P-C4'-P energy: -102.828
tors. eta vs tors. theta energy: -232.023
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: 3, replica: 3
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -2543.110256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2543.110256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2551.561112 (E_RNA)
where:
Base-Base interactions energy: -1787.400
where: short stacking energy: -785.151
Base-Backbone interact. energy: -3.291
local terms energy: -760.869390
where:
bonds (distance) C4'-P energy: -131.494
bonds (distance) P-C4' energy: -142.598
flat angles C4'-P-C4' energy: -160.128
flat angles P-C4'-P energy: -101.641
tors. eta vs tors. theta energy: -225.007
Dist. restrs. and SS energy: 8.451 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -2541.603420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2541.603420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2551.013286 (E_RNA)
where:
Base-Base interactions energy: -1813.649
where: short stacking energy: -762.541
Base-Backbone interact. energy: -2.778
local terms energy: -734.586381
where:
bonds (distance) C4'-P energy: -109.056
bonds (distance) P-C4' energy: -146.980
flat angles C4'-P-C4' energy: -146.600
flat angles P-C4'-P energy: -107.006
tors. eta vs tors. theta energy: -224.944
Dist. restrs. and SS energy: 9.410 (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: 175
Temperature: 1.100000
Total energy: -2402.281912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2402.281912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2408.625269 (E_RNA)
where:
Base-Base interactions energy: -1682.313
where: short stacking energy: -681.190
Base-Backbone interact. energy: -2.034
local terms energy: -724.278394
where:
bonds (distance) C4'-P energy: -131.043
bonds (distance) P-C4' energy: -131.735
flat angles C4'-P-C4' energy: -156.530
flat angles P-C4'-P energy: -105.475
tors. eta vs tors. theta energy: -199.495
Dist. restrs. and SS energy: 6.343 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -2310.322274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2310.322274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2322.492176 (E_RNA)
where:
Base-Base interactions energy: -1621.422
where: short stacking energy: -673.577
Base-Backbone interact. energy: -3.135
local terms energy: -697.934800
where:
bonds (distance) C4'-P energy: -135.203
bonds (distance) P-C4' energy: -119.118
flat angles C4'-P-C4' energy: -138.054
flat angles P-C4'-P energy: -110.129
tors. eta vs tors. theta energy: -195.430
Dist. restrs. and SS energy: 12.170 (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: 2
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -2287.044558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2287.044558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2295.539146 (E_RNA)
where:
Base-Base interactions energy: -1606.520
where: short stacking energy: -695.308
Base-Backbone interact. energy: 0.518
local terms energy: -689.537156
where:
bonds (distance) C4'-P energy: -107.147
bonds (distance) P-C4' energy: -126.848
flat angles C4'-P-C4' energy: -148.708
flat angles P-C4'-P energy: -96.502
tors. eta vs tors. theta energy: -210.332
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: 4
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -2267.271784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2267.271784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2278.620067 (E_RNA)
where:
Base-Base interactions energy: -1580.421
where: short stacking energy: -688.934
Base-Backbone interact. energy: 1.290
local terms energy: -699.489272
where:
bonds (distance) C4'-P energy: -126.353
bonds (distance) P-C4' energy: -116.517
flat angles C4'-P-C4' energy: -151.408
flat angles P-C4'-P energy: -101.604
tors. eta vs tors. theta energy: -203.607
Dist. restrs. and SS energy: 11.348 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -2093.372819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2093.372819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2108.000065 (E_RNA)
where:
Base-Base interactions energy: -1510.131
where: short stacking energy: -588.994
Base-Backbone interact. energy: -3.055
local terms energy: -594.813889
where:
bonds (distance) C4'-P energy: -115.968
bonds (distance) P-C4' energy: -105.189
flat angles C4'-P-C4' energy: -112.670
flat angles P-C4'-P energy: -83.803
tors. eta vs tors. theta energy: -177.184
Dist. restrs. and SS energy: 14.627 (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: 1
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -1810.495519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.495519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.534301 (E_RNA)
where:
Base-Base interactions energy: -1293.664
where: short stacking energy: -537.829
Base-Backbone interact. energy: -2.468
local terms energy: -543.402173
where:
bonds (distance) C4'-P energy: -121.293
bonds (distance) P-C4' energy: -107.594
flat angles C4'-P-C4' energy: -120.274
flat angles P-C4'-P energy: -50.577
tors. eta vs tors. theta energy: -143.663
Dist. restrs. and SS energy: 29.039 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -2740.382639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2740.382639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2743.455518 (E_RNA)
where:
Base-Base interactions energy: -1920.150
where: short stacking energy: -829.131
Base-Backbone interact. energy: -1.082
local terms energy: -822.223926
where:
bonds (distance) C4'-P energy: -143.249
bonds (distance) P-C4' energy: -148.717
flat angles C4'-P-C4' energy: -165.165
flat angles P-C4'-P energy: -121.941
tors. eta vs tors. theta energy: -243.153
Dist. restrs. and SS energy: 3.073 (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: 10
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -2636.848547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2636.848547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2643.222211 (E_RNA)
where:
Base-Base interactions energy: -1846.153
where: short stacking energy: -797.267
Base-Backbone interact. energy: -3.204
local terms energy: -793.865682
where:
bonds (distance) C4'-P energy: -145.880
bonds (distance) P-C4' energy: -147.839
flat angles C4'-P-C4' energy: -155.177
flat angles P-C4'-P energy: -105.643
tors. eta vs tors. theta energy: -239.325
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: 3, replica: 3
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -2564.491655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2564.491655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2573.516187 (E_RNA)
where:
Base-Base interactions energy: -1810.138
where: short stacking energy: -780.983
Base-Backbone interact. energy: -5.832
local terms energy: -757.545733
where:
bonds (distance) C4'-P energy: -139.329
bonds (distance) P-C4' energy: -126.435
flat angles C4'-P-C4' energy: -167.767
flat angles P-C4'-P energy: -98.964
tors. eta vs tors. theta energy: -225.051
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: 4, replica: 5
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -2536.295682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2536.295682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2548.028907 (E_RNA)
where:
Base-Base interactions energy: -1816.017
where: short stacking energy: -771.033
Base-Backbone interact. energy: 4.251
local terms energy: -736.262906
where:
bonds (distance) C4'-P energy: -123.593
bonds (distance) P-C4' energy: -118.600
flat angles C4'-P-C4' energy: -168.633
flat angles P-C4'-P energy: -104.550
tors. eta vs tors. theta energy: -220.887
Dist. restrs. and SS energy: 11.733 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -2403.147622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2403.147622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2410.124470 (E_RNA)
where:
Base-Base interactions energy: -1698.437
where: short stacking energy: -698.381
Base-Backbone interact. energy: 1.755
local terms energy: -713.442507
where:
bonds (distance) C4'-P energy: -123.958
bonds (distance) P-C4' energy: -123.579
flat angles C4'-P-C4' energy: -158.484
flat angles P-C4'-P energy: -102.905
tors. eta vs tors. theta energy: -204.517
Dist. restrs. and SS energy: 6.977 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -2326.653695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2326.653695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2334.536592 (E_RNA)
where:
Base-Base interactions energy: -1639.209
where: short stacking energy: -698.285
Base-Backbone interact. energy: -1.959
local terms energy: -693.368841
where:
bonds (distance) C4'-P energy: -137.870
bonds (distance) P-C4' energy: -129.582
flat angles C4'-P-C4' energy: -147.806
flat angles P-C4'-P energy: -90.740
tors. eta vs tors. theta energy: -187.371
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: 7, replica: 2
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -2283.427393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2283.427393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2291.620403 (E_RNA)
where:
Base-Base interactions energy: -1595.311
where: short stacking energy: -697.526
Base-Backbone interact. energy: 3.099
local terms energy: -699.408335
where:
bonds (distance) C4'-P energy: -122.231
bonds (distance) P-C4' energy: -140.808
flat angles C4'-P-C4' energy: -150.508
flat angles P-C4'-P energy: -84.914
tors. eta vs tors. theta energy: -200.948
Dist. restrs. and SS energy: 8.193 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -2197.160596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2197.160596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2207.276856 (E_RNA)
where:
Base-Base interactions energy: -1555.361
where: short stacking energy: -661.168
Base-Backbone interact. energy: -0.780
local terms energy: -651.135797
where:
bonds (distance) C4'-P energy: -112.715
bonds (distance) P-C4' energy: -99.731
flat angles C4'-P-C4' energy: -146.414
flat angles P-C4'-P energy: -99.313
tors. eta vs tors. theta energy: -192.963
Dist. restrs. and SS energy: 10.116 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -2101.345016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2101.345016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2111.201098 (E_RNA)
where:
Base-Base interactions energy: -1515.416
where: short stacking energy: -635.461
Base-Backbone interact. energy: 0.338
local terms energy: -596.122479
where:
bonds (distance) C4'-P energy: -113.239
bonds (distance) P-C4' energy: -101.286
flat angles C4'-P-C4' energy: -135.732
flat angles P-C4'-P energy: -71.651
tors. eta vs tors. theta energy: -174.214
Dist. restrs. and SS energy: 9.856 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -1833.880650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.880650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.413154 (E_RNA)
where:
Base-Base interactions energy: -1310.135
where: short stacking energy: -529.857
Base-Backbone interact. energy: -2.381
local terms energy: -542.897839
where:
bonds (distance) C4'-P energy: -92.781
bonds (distance) P-C4' energy: -108.617
flat angles C4'-P-C4' energy: -131.433
flat angles P-C4'-P energy: -67.447
tors. eta vs tors. theta energy: -142.619
Dist. restrs. and SS energy: 21.533 (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: 8
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -2726.703783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2726.703783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2730.340698 (E_RNA)
where:
Base-Base interactions energy: -1898.768
where: short stacking energy: -817.635
Base-Backbone interact. energy: -2.092
local terms energy: -829.481118
where:
bonds (distance) C4'-P energy: -148.652
bonds (distance) P-C4' energy: -144.292
flat angles C4'-P-C4' energy: -169.686
flat angles P-C4'-P energy: -126.498
tors. eta vs tors. theta energy: -240.354
Dist. restrs. and SS energy: 3.637 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -2601.011638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2601.011638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2608.179047 (E_RNA)
where:
Base-Base interactions energy: -1832.838
where: short stacking energy: -790.646
Base-Backbone interact. energy: -2.072
local terms energy: -773.268156
where:
bonds (distance) C4'-P energy: -144.337
bonds (distance) P-C4' energy: -129.723
flat angles C4'-P-C4' energy: -168.417
flat angles P-C4'-P energy: -101.325
tors. eta vs tors. theta energy: -229.466
Dist. restrs. and SS energy: 7.167 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -2561.662035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2561.662035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2568.724906 (E_RNA)
where:
Base-Base interactions energy: -1785.492
where: short stacking energy: -755.966
Base-Backbone interact. energy: -2.574
local terms energy: -780.658603
where:
bonds (distance) C4'-P energy: -138.019
bonds (distance) P-C4' energy: -136.483
flat angles C4'-P-C4' energy: -166.867
flat angles P-C4'-P energy: -100.357
tors. eta vs tors. theta energy: -238.932
Dist. restrs. and SS energy: 7.063 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -2524.177567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2524.177567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2531.491423 (E_RNA)
where:
Base-Base interactions energy: -1752.549
where: short stacking energy: -758.924
Base-Backbone interact. energy: -2.746
local terms energy: -776.196267
where:
bonds (distance) C4'-P energy: -127.516
bonds (distance) P-C4' energy: -145.861
flat angles C4'-P-C4' energy: -164.505
flat angles P-C4'-P energy: -113.671
tors. eta vs tors. theta energy: -224.643
Dist. restrs. and SS energy: 7.314 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -2364.795944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2364.795944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2375.798187 (E_RNA)
where:
Base-Base interactions energy: -1666.934
where: short stacking energy: -701.026
Base-Backbone interact. energy: -2.446
local terms energy: -706.418237
where:
bonds (distance) C4'-P energy: -133.181
bonds (distance) P-C4' energy: -147.638
flat angles C4'-P-C4' energy: -135.639
flat angles P-C4'-P energy: -81.177
tors. eta vs tors. theta energy: -208.783
Dist. restrs. and SS energy: 11.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -2314.271518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2314.271518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2325.412057 (E_RNA)
where:
Base-Base interactions energy: -1617.686
where: short stacking energy: -671.301
Base-Backbone interact. energy: 1.499
local terms energy: -709.225652
where:
bonds (distance) C4'-P energy: -123.844
bonds (distance) P-C4' energy: -136.614
flat angles C4'-P-C4' energy: -153.227
flat angles P-C4'-P energy: -93.667
tors. eta vs tors. theta energy: -201.874
Dist. restrs. and SS energy: 11.141 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -2244.280294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2244.280294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2252.729960 (E_RNA)
where:
Base-Base interactions energy: -1541.153
where: short stacking energy: -637.966
Base-Backbone interact. energy: 0.236
local terms energy: -711.813543
where:
bonds (distance) C4'-P energy: -140.062
bonds (distance) P-C4' energy: -130.691
flat angles C4'-P-C4' energy: -154.300
flat angles P-C4'-P energy: -91.780
tors. eta vs tors. theta energy: -194.981
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: 8, replica: 4
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -2213.523654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2213.523654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2225.651633 (E_RNA)
where:
Base-Base interactions energy: -1584.286
where: short stacking energy: -664.514
Base-Backbone interact. energy: -2.124
local terms energy: -639.241775
where:
bonds (distance) C4'-P energy: -107.196
bonds (distance) P-C4' energy: -125.246
flat angles C4'-P-C4' energy: -139.271
flat angles P-C4'-P energy: -74.877
tors. eta vs tors. theta energy: -192.652
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: 9, replica: 6
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -2061.498518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2061.498518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.768026 (E_RNA)
where:
Base-Base interactions energy: -1440.525
where: short stacking energy: -601.355
Base-Backbone interact. energy: -2.781
local terms energy: -628.462788
where:
bonds (distance) C4'-P energy: -106.068
bonds (distance) P-C4' energy: -116.756
flat angles C4'-P-C4' energy: -137.027
flat angles P-C4'-P energy: -96.496
tors. eta vs tors. theta energy: -172.116
Dist. restrs. and SS energy: 10.270 (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: 1
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -1859.538988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.538988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1883.091878 (E_RNA)
where:
Base-Base interactions energy: -1315.231
where: short stacking energy: -559.382
Base-Backbone interact. energy: -2.474
local terms energy: -565.387637
where:
bonds (distance) C4'-P energy: -115.101
bonds (distance) P-C4' energy: -124.394
flat angles C4'-P-C4' energy: -104.266
flat angles P-C4'-P energy: -81.690
tors. eta vs tors. theta energy: -139.937
Dist. restrs. and SS energy: 23.553 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -2745.184688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2745.184688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2746.953609 (E_RNA)
where:
Base-Base interactions energy: -1928.659
where: short stacking energy: -810.420
Base-Backbone interact. energy: -3.877
local terms energy: -814.417613
where:
bonds (distance) C4'-P energy: -142.053
bonds (distance) P-C4' energy: -144.481
flat angles C4'-P-C4' energy: -167.650
flat angles P-C4'-P energy: -121.039
tors. eta vs tors. theta energy: -239.196
Dist. restrs. and SS energy: 1.769 (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: 3
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -2612.197235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2612.197235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2619.793447 (E_RNA)
where:
Base-Base interactions energy: -1833.007
where: short stacking energy: -795.891
Base-Backbone interact. energy: -3.602
local terms energy: -783.184004
where:
bonds (distance) C4'-P energy: -147.706
bonds (distance) P-C4' energy: -130.375
flat angles C4'-P-C4' energy: -168.129
flat angles P-C4'-P energy: -110.187
tors. eta vs tors. theta energy: -226.785
Dist. restrs. and SS energy: 7.596 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -2581.838414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2581.838414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2590.419725 (E_RNA)
where:
Base-Base interactions energy: -1794.223
where: short stacking energy: -760.679
Base-Backbone interact. energy: -1.862
local terms energy: -794.334890
where:
bonds (distance) C4'-P energy: -139.307
bonds (distance) P-C4' energy: -142.150
flat angles C4'-P-C4' energy: -167.148
flat angles P-C4'-P energy: -112.238
tors. eta vs tors. theta energy: -233.492
Dist. restrs. and SS energy: 8.581 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -2515.830873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2515.830873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2522.256670 (E_RNA)
where:
Base-Base interactions energy: -1781.053
where: short stacking energy: -735.325
Base-Backbone interact. energy: -3.990
local terms energy: -737.213283
where:
bonds (distance) C4'-P energy: -116.847
bonds (distance) P-C4' energy: -140.050
flat angles C4'-P-C4' energy: -152.972
flat angles P-C4'-P energy: -111.018
tors. eta vs tors. theta energy: -216.326
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: 5, replica: 7
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -2423.347627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2423.347627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2430.561785 (E_RNA)
where:
Base-Base interactions energy: -1717.628
where: short stacking energy: -717.262
Base-Backbone interact. energy: -0.209
local terms energy: -712.724013
where:
bonds (distance) C4'-P energy: -117.185
bonds (distance) P-C4' energy: -121.264
flat angles C4'-P-C4' energy: -158.118
flat angles P-C4'-P energy: -105.091
tors. eta vs tors. theta energy: -211.066
Dist. restrs. and SS energy: 7.214 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -2363.264270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2363.264270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2376.686731 (E_RNA)
where:
Base-Base interactions energy: -1639.656
where: short stacking energy: -694.654
Base-Backbone interact. energy: 0.511
local terms energy: -737.541817
where:
bonds (distance) C4'-P energy: -143.400
bonds (distance) P-C4' energy: -141.671
flat angles C4'-P-C4' energy: -150.659
flat angles P-C4'-P energy: -101.235
tors. eta vs tors. theta energy: -200.576
Dist. restrs. and SS energy: 13.422 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -2259.462835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2259.462835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2266.442857 (E_RNA)
where:
Base-Base interactions energy: -1589.365
where: short stacking energy: -669.413
Base-Backbone interact. energy: -0.968
local terms energy: -676.110214
where:
bonds (distance) C4'-P energy: -125.300
bonds (distance) P-C4' energy: -124.493
flat angles C4'-P-C4' energy: -132.659
flat angles P-C4'-P energy: -93.937
tors. eta vs tors. theta energy: -199.721
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: 8, replica: 2
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -2191.255661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2191.255661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2197.495565 (E_RNA)
where:
Base-Base interactions energy: -1556.253
where: short stacking energy: -657.069
Base-Backbone interact. energy: -0.970
local terms energy: -640.272496
where:
bonds (distance) C4'-P energy: -112.510
bonds (distance) P-C4' energy: -112.460
flat angles C4'-P-C4' energy: -141.908
flat angles P-C4'-P energy: -86.446
tors. eta vs tors. theta energy: -186.948
Dist. restrs. and SS energy: 6.240 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -2076.641501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2076.641501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.715110 (E_RNA)
where:
Base-Base interactions energy: -1483.857
where: short stacking energy: -591.850
Base-Backbone interact. energy: -2.544
local terms energy: -602.314371
where:
bonds (distance) C4'-P energy: -114.546
bonds (distance) P-C4' energy: -103.380
flat angles C4'-P-C4' energy: -134.803
flat angles P-C4'-P energy: -71.565
tors. eta vs tors. theta energy: -178.020
Dist. restrs. and SS energy: 12.074 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -1829.947972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.947972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.384438 (E_RNA)
where:
Base-Base interactions energy: -1326.972
where: short stacking energy: -536.407
Base-Backbone interact. energy: -2.916
local terms energy: -529.497185
where:
bonds (distance) C4'-P energy: -107.545
bonds (distance) P-C4' energy: -105.622
flat angles C4'-P-C4' energy: -112.995
flat angles P-C4'-P energy: -69.461
tors. eta vs tors. theta energy: -133.874
Dist. restrs. and SS energy: 29.436 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -2743.149903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2743.149903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2748.609769 (E_RNA)
where:
Base-Base interactions energy: -1915.635
where: short stacking energy: -813.822
Base-Backbone interact. energy: -3.816
local terms energy: -829.158767
where:
bonds (distance) C4'-P energy: -152.013
bonds (distance) P-C4' energy: -155.987
flat angles C4'-P-C4' energy: -171.408
flat angles P-C4'-P energy: -112.899
tors. eta vs tors. theta energy: -236.851
Dist. restrs. and SS energy: 5.460 (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: 3
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -2631.986535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2631.986535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2638.730924 (E_RNA)
where:
Base-Base interactions energy: -1848.906
where: short stacking energy: -802.068
Base-Backbone interact. energy: -1.385
local terms energy: -788.440158
where:
bonds (distance) C4'-P energy: -142.312
bonds (distance) P-C4' energy: -135.167
flat angles C4'-P-C4' energy: -161.263
flat angles P-C4'-P energy: -106.184
tors. eta vs tors. theta energy: -243.515
Dist. restrs. and SS energy: 6.744 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -2597.654684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2597.654684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2603.225870 (E_RNA)
where:
Base-Base interactions energy: -1814.770
where: short stacking energy: -771.014
Base-Backbone interact. energy: -4.422
local terms energy: -784.033947
where:
bonds (distance) C4'-P energy: -132.709
bonds (distance) P-C4' energy: -143.360
flat angles C4'-P-C4' energy: -170.683
flat angles P-C4'-P energy: -107.909
tors. eta vs tors. theta energy: -229.373
Dist. restrs. and SS energy: 5.571 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -2505.511763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2505.511763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2513.799938 (E_RNA)
where:
Base-Base interactions energy: -1777.332
where: short stacking energy: -771.466
Base-Backbone interact. energy: -2.123
local terms energy: -734.344634
where:
bonds (distance) C4'-P energy: -113.375
bonds (distance) P-C4' energy: -130.307
flat angles C4'-P-C4' energy: -157.799
flat angles P-C4'-P energy: -101.500
tors. eta vs tors. theta energy: -231.363
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: 5, replica: 7
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -2363.092166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2363.092166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2377.942895 (E_RNA)
where:
Base-Base interactions energy: -1647.192
where: short stacking energy: -674.545
Base-Backbone interact. energy: -3.077
local terms energy: -727.673925
where:
bonds (distance) C4'-P energy: -125.702
bonds (distance) P-C4' energy: -133.823
flat angles C4'-P-C4' energy: -159.732
flat angles P-C4'-P energy: -100.884
tors. eta vs tors. theta energy: -207.532
Dist. restrs. and SS energy: 14.851 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -2328.198397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2328.198397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2340.347595 (E_RNA)
where:
Base-Base interactions energy: -1663.581
where: short stacking energy: -738.071
Base-Backbone interact. energy: -1.985
local terms energy: -674.781512
where:
bonds (distance) C4'-P energy: -108.324
bonds (distance) P-C4' energy: -105.360
flat angles C4'-P-C4' energy: -155.396
flat angles P-C4'-P energy: -95.252
tors. eta vs tors. theta energy: -210.449
Dist. restrs. and SS energy: 12.149 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -2231.916587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2231.916587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2246.949099 (E_RNA)
where:
Base-Base interactions energy: -1585.446
where: short stacking energy: -653.658
Base-Backbone interact. energy: 8.787
local terms energy: -670.290012
where:
bonds (distance) C4'-P energy: -120.771
bonds (distance) P-C4' energy: -124.689
flat angles C4'-P-C4' energy: -149.949
flat angles P-C4'-P energy: -80.621
tors. eta vs tors. theta energy: -194.259
Dist. restrs. and SS energy: 15.033 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -2234.583227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2234.583227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2244.023036 (E_RNA)
where:
Base-Base interactions energy: -1570.018
where: short stacking energy: -665.937
Base-Backbone interact. energy: 0.222
local terms energy: -674.227485
where:
bonds (distance) C4'-P energy: -130.148
bonds (distance) P-C4' energy: -119.691
flat angles C4'-P-C4' energy: -145.446
flat angles P-C4'-P energy: -83.019
tors. eta vs tors. theta energy: -195.923
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: 179
Temperature: 1.300000
Total energy: -2040.878224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2040.878224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2061.095410 (E_RNA)
where:
Base-Base interactions energy: -1437.750
where: short stacking energy: -574.569
Base-Backbone interact. energy: -0.728
local terms energy: -622.618225
where:
bonds (distance) C4'-P energy: -117.122
bonds (distance) P-C4' energy: -115.047
flat angles C4'-P-C4' energy: -142.301
flat angles P-C4'-P energy: -77.358
tors. eta vs tors. theta energy: -170.790
Dist. restrs. and SS energy: 20.217 (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: 1
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -1833.090269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.090269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.984632 (E_RNA)
where:
Base-Base interactions energy: -1313.462
where: short stacking energy: -544.443
Base-Backbone interact. energy: -3.134
local terms energy: -557.388888
where:
bonds (distance) C4'-P energy: -114.059
bonds (distance) P-C4' energy: -110.881
flat angles C4'-P-C4' energy: -109.439
flat angles P-C4'-P energy: -77.702
tors. eta vs tors. theta energy: -145.307
Dist. restrs. and SS energy: 40.894 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -2727.240877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2727.240877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2729.013892 (E_RNA)
where:
Base-Base interactions energy: -1925.520
where: short stacking energy: -829.356
Base-Backbone interact. energy: -3.922
local terms energy: -799.572532
where:
bonds (distance) C4'-P energy: -138.147
bonds (distance) P-C4' energy: -138.347
flat angles C4'-P-C4' energy: -167.103
flat angles P-C4'-P energy: -114.632
tors. eta vs tors. theta energy: -241.344
Dist. restrs. and SS energy: 1.773 (S_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: 180
Temperature: 0.950000
Total energy: -2647.753835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2647.753835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2653.938633 (E_RNA)
where:
Base-Base interactions energy: -1840.732
where: short stacking energy: -751.540
Base-Backbone interact. energy: -2.618
local terms energy: -810.588616
where:
bonds (distance) C4'-P energy: -146.790
bonds (distance) P-C4' energy: -150.599
flat angles C4'-P-C4' energy: -167.472
flat angles P-C4'-P energy: -108.408
tors. eta vs tors. theta energy: -237.319
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: 3, replica: 5
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -2592.378107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2592.378107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2597.973576 (E_RNA)
where:
Base-Base interactions energy: -1820.068
where: short stacking energy: -773.044
Base-Backbone interact. energy: 0.110
local terms energy: -778.015633
where:
bonds (distance) C4'-P energy: -138.244
bonds (distance) P-C4' energy: -131.340
flat angles C4'-P-C4' energy: -151.910
flat angles P-C4'-P energy: -117.983
tors. eta vs tors. theta energy: -238.539
Dist. restrs. and SS energy: 5.595 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -2534.588197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2534.588197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2542.013264 (E_RNA)
where:
Base-Base interactions energy: -1778.338
where: short stacking energy: -740.114
Base-Backbone interact. energy: -1.775
local terms energy: -761.900709
where:
bonds (distance) C4'-P energy: -133.553
bonds (distance) P-C4' energy: -141.076
flat angles C4'-P-C4' energy: -170.859
flat angles P-C4'-P energy: -110.223
tors. eta vs tors. theta energy: -206.189
Dist. restrs. and SS energy: 7.425 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -2423.860075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2423.860075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2430.979007 (E_RNA)
where:
Base-Base interactions energy: -1704.675
where: short stacking energy: -723.857
Base-Backbone interact. energy: -2.500
local terms energy: -723.804411
where:
bonds (distance) C4'-P energy: -120.376
bonds (distance) P-C4' energy: -147.615
flat angles C4'-P-C4' energy: -139.731
flat angles P-C4'-P energy: -92.172
tors. eta vs tors. theta energy: -223.910
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: 6, replica: 9
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -2323.992633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2323.992633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2337.423807 (E_RNA)
where:
Base-Base interactions energy: -1658.065
where: short stacking energy: -707.848
Base-Backbone interact. energy: -2.591
local terms energy: -676.767183
where:
bonds (distance) C4'-P energy: -100.280
bonds (distance) P-C4' energy: -142.765
flat angles C4'-P-C4' energy: -141.381
flat angles P-C4'-P energy: -92.878
tors. eta vs tors. theta energy: -199.463
Dist. restrs. and SS energy: 13.431 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -2294.886086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2294.886086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2305.017463 (E_RNA)
where:
Base-Base interactions energy: -1629.808
where: short stacking energy: -692.678
Base-Backbone interact. energy: -3.852
local terms energy: -671.358093
where:
bonds (distance) C4'-P energy: -101.065
bonds (distance) P-C4' energy: -129.148
flat angles C4'-P-C4' energy: -146.044
flat angles P-C4'-P energy: -89.474
tors. eta vs tors. theta energy: -205.626
Dist. restrs. and SS energy: 10.131 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -2174.892415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2174.892415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2185.680824 (E_RNA)
where:
Base-Base interactions energy: -1551.484
where: short stacking energy: -649.675
Base-Backbone interact. energy: 1.157
local terms energy: -635.353173
where:
bonds (distance) C4'-P energy: -105.972
bonds (distance) P-C4' energy: -122.926
flat angles C4'-P-C4' energy: -133.592
flat angles P-C4'-P energy: -85.255
tors. eta vs tors. theta energy: -187.608
Dist. restrs. and SS energy: 10.788 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -2060.519421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2060.519421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.350544 (E_RNA)
where:
Base-Base interactions energy: -1448.190
where: short stacking energy: -590.971
Base-Backbone interact. energy: 6.104
local terms energy: -629.264533
where:
bonds (distance) C4'-P energy: -124.035
bonds (distance) P-C4' energy: -117.498
flat angles C4'-P-C4' energy: -129.660
flat angles P-C4'-P energy: -81.647
tors. eta vs tors. theta energy: -176.425
Dist. restrs. and SS energy: 10.831 (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: 1
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -1881.018991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.018991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1909.395848 (E_RNA)
where:
Base-Base interactions energy: -1320.440
where: short stacking energy: -545.656
Base-Backbone interact. energy: -3.904
local terms energy: -585.052483
where:
bonds (distance) C4'-P energy: -111.725
bonds (distance) P-C4' energy: -117.811
flat angles C4'-P-C4' energy: -125.924
flat angles P-C4'-P energy: -88.856
tors. eta vs tors. theta energy: -140.736
Dist. restrs. and SS energy: 28.377 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -2747.607318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2747.607318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2750.606907 (E_RNA)
where:
Base-Base interactions energy: -1936.664
where: short stacking energy: -824.155
Base-Backbone interact. energy: -2.522
local terms energy: -811.420341
where:
bonds (distance) C4'-P energy: -137.849
bonds (distance) P-C4' energy: -149.884
flat angles C4'-P-C4' energy: -179.030
flat angles P-C4'-P energy: -108.382
tors. eta vs tors. theta energy: -236.276
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: 3
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -2658.740940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2658.740940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2665.573226 (E_RNA)
where:
Base-Base interactions energy: -1880.992
where: short stacking energy: -781.311
Base-Backbone interact. energy: -3.503
local terms energy: -781.078416
where:
bonds (distance) C4'-P energy: -137.916
bonds (distance) P-C4' energy: -138.171
flat angles C4'-P-C4' energy: -155.998
flat angles P-C4'-P energy: -111.410
tors. eta vs tors. theta energy: -237.584
Dist. restrs. and SS energy: 6.832 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -2575.920159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2575.920159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2583.333895 (E_RNA)
where:
Base-Base interactions energy: -1796.715
where: short stacking energy: -759.872
Base-Backbone interact. energy: -1.079
local terms energy: -785.540456
where:
bonds (distance) C4'-P energy: -133.359
bonds (distance) P-C4' energy: -149.357
flat angles C4'-P-C4' energy: -166.332
flat angles P-C4'-P energy: -104.393
tors. eta vs tors. theta energy: -232.099
Dist. restrs. and SS energy: 7.414 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -2524.124903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2524.124903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2531.273866 (E_RNA)
where:
Base-Base interactions energy: -1760.427
where: short stacking energy: -738.374
Base-Backbone interact. energy: -1.454
local terms energy: -769.393569
where:
bonds (distance) C4'-P energy: -154.352
bonds (distance) P-C4' energy: -129.730
flat angles C4'-P-C4' energy: -158.127
flat angles P-C4'-P energy: -108.062
tors. eta vs tors. theta energy: -219.122
Dist. restrs. and SS energy: 7.149 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -2425.156396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2425.156396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2439.415612 (E_RNA)
where:
Base-Base interactions energy: -1701.144
where: short stacking energy: -715.756
Base-Backbone interact. energy: -0.277
local terms energy: -737.993995
where:
bonds (distance) C4'-P energy: -139.334
bonds (distance) P-C4' energy: -126.216
flat angles C4'-P-C4' energy: -151.471
flat angles P-C4'-P energy: -108.526
tors. eta vs tors. theta energy: -212.448
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: 6, replica: 2
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -2312.103618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2312.103618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2319.400205 (E_RNA)
where:
Base-Base interactions energy: -1629.977
where: short stacking energy: -699.340
Base-Backbone interact. energy: -1.191
local terms energy: -688.231880
where:
bonds (distance) C4'-P energy: -112.746
bonds (distance) P-C4' energy: -119.377
flat angles C4'-P-C4' energy: -158.103
flat angles P-C4'-P energy: -103.635
tors. eta vs tors. theta energy: -194.371
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: 9
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -2241.877302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2241.877302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2252.116901 (E_RNA)
where:
Base-Base interactions energy: -1570.151
where: short stacking energy: -686.924
Base-Backbone interact. energy: 11.422
local terms energy: -693.388388
where:
bonds (distance) C4'-P energy: -123.378
bonds (distance) P-C4' energy: -120.701
flat angles C4'-P-C4' energy: -149.019
flat angles P-C4'-P energy: -91.295
tors. eta vs tors. theta energy: -208.997
Dist. restrs. and SS energy: 10.240 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -2198.263281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2198.263281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2208.181905 (E_RNA)
where:
Base-Base interactions energy: -1526.064
where: short stacking energy: -609.294
Base-Backbone interact. energy: -0.134
local terms energy: -681.984248
where:
bonds (distance) C4'-P energy: -136.724
bonds (distance) P-C4' energy: -128.307
flat angles C4'-P-C4' energy: -157.006
flat angles P-C4'-P energy: -80.048
tors. eta vs tors. theta energy: -179.900
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: 6
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -2044.368874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2044.368874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2061.570534 (E_RNA)
where:
Base-Base interactions energy: -1475.222
where: short stacking energy: -623.037
Base-Backbone interact. energy: 0.231
local terms energy: -586.579532
where:
bonds (distance) C4'-P energy: -104.014
bonds (distance) P-C4' energy: -102.932
flat angles C4'-P-C4' energy: -130.667
flat angles P-C4'-P energy: -74.758
tors. eta vs tors. theta energy: -174.210
Dist. restrs. and SS energy: 17.202 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -1919.836417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.836417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1948.734893 (E_RNA)
where:
Base-Base interactions energy: -1361.901
where: short stacking energy: -567.430
Base-Backbone interact. energy: 1.536
local terms energy: -588.369620
where:
bonds (distance) C4'-P energy: -122.338
bonds (distance) P-C4' energy: -106.253
flat angles C4'-P-C4' energy: -136.545
flat angles P-C4'-P energy: -76.937
tors. eta vs tors. theta energy: -146.296
Dist. restrs. and SS energy: 28.898 (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: 8
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -2718.873916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2718.873916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2722.967482 (E_RNA)
where:
Base-Base interactions energy: -1891.216
where: short stacking energy: -793.443
Base-Backbone interact. energy: -1.845
local terms energy: -829.906514
where:
bonds (distance) C4'-P energy: -145.123
bonds (distance) P-C4' energy: -160.181
flat angles C4'-P-C4' energy: -173.323
flat angles P-C4'-P energy: -118.266
tors. eta vs tors. theta energy: -233.013
Dist. restrs. and SS energy: 4.094 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -2652.027962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2652.027962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2657.482192 (E_RNA)
where:
Base-Base interactions energy: -1872.565
where: short stacking energy: -791.330
Base-Backbone interact. energy: -5.052
local terms energy: -779.864671
where:
bonds (distance) C4'-P energy: -133.682
bonds (distance) P-C4' energy: -125.271
flat angles C4'-P-C4' energy: -165.021
flat angles P-C4'-P energy: -115.899
tors. eta vs tors. theta energy: -239.992
Dist. restrs. and SS energy: 5.454 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -2536.388127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2536.388127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2542.153326 (E_RNA)
where:
Base-Base interactions energy: -1776.498
where: short stacking energy: -754.164
Base-Backbone interact. energy: -2.126
local terms energy: -763.529621
where:
bonds (distance) C4'-P energy: -119.183
bonds (distance) P-C4' energy: -155.855
flat angles C4'-P-C4' energy: -161.987
flat angles P-C4'-P energy: -106.565
tors. eta vs tors. theta energy: -219.940
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: 4, replica: 10
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -2542.633814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2542.633814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2548.274564 (E_RNA)
where:
Base-Base interactions energy: -1779.362
where: short stacking energy: -755.910
Base-Backbone interact. energy: 0.155
local terms energy: -769.067385
where:
bonds (distance) C4'-P energy: -142.170
bonds (distance) P-C4' energy: -122.896
flat angles C4'-P-C4' energy: -162.118
flat angles P-C4'-P energy: -104.688
tors. eta vs tors. theta energy: -237.196
Dist. restrs. and SS energy: 5.641 (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: 7
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -2387.651754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2387.651754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2395.636797 (E_RNA)
where:
Base-Base interactions energy: -1678.502
where: short stacking energy: -681.200
Base-Backbone interact. energy: -4.139
local terms energy: -712.995395
where:
bonds (distance) C4'-P energy: -136.078
bonds (distance) P-C4' energy: -123.521
flat angles C4'-P-C4' energy: -152.790
flat angles P-C4'-P energy: -103.315
tors. eta vs tors. theta energy: -197.291
Dist. restrs. and SS energy: 7.985 (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: 2
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -2348.149339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2348.149339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2355.168894 (E_RNA)
where:
Base-Base interactions energy: -1658.882
where: short stacking energy: -703.406
Base-Backbone interact. energy: 0.744
local terms energy: -697.031088
where:
bonds (distance) C4'-P energy: -124.316
bonds (distance) P-C4' energy: -129.992
flat angles C4'-P-C4' energy: -143.863
flat angles P-C4'-P energy: -100.479
tors. eta vs tors. theta energy: -198.382
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: 7, replica: 9
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -2266.972863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2266.972863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2276.159520 (E_RNA)
where:
Base-Base interactions energy: -1578.162
where: short stacking energy: -641.953
Base-Backbone interact. energy: 0.496
local terms energy: -698.493613
where:
bonds (distance) C4'-P energy: -132.595
bonds (distance) P-C4' energy: -115.385
flat angles C4'-P-C4' energy: -156.238
flat angles P-C4'-P energy: -107.710
tors. eta vs tors. theta energy: -186.566
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: 8, replica: 4
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -2190.901210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2190.901210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2198.923962 (E_RNA)
where:
Base-Base interactions energy: -1544.634
where: short stacking energy: -657.238
Base-Backbone interact. energy: -0.104
local terms energy: -654.185767
where:
bonds (distance) C4'-P energy: -104.957
bonds (distance) P-C4' energy: -117.180
flat angles C4'-P-C4' energy: -146.783
flat angles P-C4'-P energy: -95.648
tors. eta vs tors. theta energy: -189.617
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: 9, replica: 6
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -2104.609726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2104.609726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2114.837919 (E_RNA)
where:
Base-Base interactions energy: -1511.229
where: short stacking energy: -603.740
Base-Backbone interact. energy: 0.129
local terms energy: -603.737679
where:
bonds (distance) C4'-P energy: -117.608
bonds (distance) P-C4' energy: -105.395
flat angles C4'-P-C4' energy: -133.740
flat angles P-C4'-P energy: -76.709
tors. eta vs tors. theta energy: -170.286
Dist. restrs. and SS energy: 10.228 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -1885.773303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1885.773303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1907.661976 (E_RNA)
where:
Base-Base interactions energy: -1330.853
where: short stacking energy: -542.061
Base-Backbone interact. energy: -2.942
local terms energy: -573.867366
where:
bonds (distance) C4'-P energy: -114.256
bonds (distance) P-C4' energy: -118.335
flat angles C4'-P-C4' energy: -127.671
flat angles P-C4'-P energy: -63.373
tors. eta vs tors. theta energy: -150.233
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: 1, replica: 8
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -2725.917167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2725.917167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2729.436016 (E_RNA)
where:
Base-Base interactions energy: -1936.398
where: short stacking energy: -810.482
Base-Backbone interact. energy: -1.915
local terms energy: -791.123755
where:
bonds (distance) C4'-P energy: -126.327
bonds (distance) P-C4' energy: -149.595
flat angles C4'-P-C4' energy: -171.554
flat angles P-C4'-P energy: -109.196
tors. eta vs tors. theta energy: -234.451
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: 3
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -2647.393270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2647.393270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2653.551448 (E_RNA)
where:
Base-Base interactions energy: -1840.582
where: short stacking energy: -779.300
Base-Backbone interact. energy: -4.646
local terms energy: -808.323556
where:
bonds (distance) C4'-P energy: -135.314
bonds (distance) P-C4' energy: -144.957
flat angles C4'-P-C4' energy: -175.568
flat angles P-C4'-P energy: -114.842
tors. eta vs tors. theta energy: -237.643
Dist. restrs. and SS energy: 6.158 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -2538.685862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2538.685862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2546.219391 (E_RNA)
where:
Base-Base interactions energy: -1775.336
where: short stacking energy: -772.054
Base-Backbone interact. energy: -1.752
local terms energy: -769.131302
where:
bonds (distance) C4'-P energy: -133.419
bonds (distance) P-C4' energy: -140.778
flat angles C4'-P-C4' energy: -159.641
flat angles P-C4'-P energy: -109.156
tors. eta vs tors. theta energy: -226.138
Dist. restrs. and SS energy: 7.534 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -2532.819307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2532.819307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2540.101077 (E_RNA)
where:
Base-Base interactions energy: -1772.614
where: short stacking energy: -767.004
Base-Backbone interact. energy: -0.572
local terms energy: -766.914902
where:
bonds (distance) C4'-P energy: -124.955
bonds (distance) P-C4' energy: -128.164
flat angles C4'-P-C4' energy: -169.808
flat angles P-C4'-P energy: -106.728
tors. eta vs tors. theta energy: -237.261
Dist. restrs. and SS energy: 7.282 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -2418.372954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2418.372954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2426.366384 (E_RNA)
where:
Base-Base interactions energy: -1695.454
where: short stacking energy: -719.128
Base-Backbone interact. energy: -0.851
local terms energy: -730.060900
where:
bonds (distance) C4'-P energy: -123.154
bonds (distance) P-C4' energy: -125.227
flat angles C4'-P-C4' energy: -152.547
flat angles P-C4'-P energy: -106.009
tors. eta vs tors. theta energy: -223.124
Dist. restrs. and SS energy: 7.993 (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: 183
Temperature: 1.150000
Total energy: -2362.480562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2362.480562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2365.653316 (E_RNA)
where:
Base-Base interactions energy: -1674.062
where: short stacking energy: -733.109
Base-Backbone interact. energy: 1.448
local terms energy: -693.040095
where:
bonds (distance) C4'-P energy: -88.758
bonds (distance) P-C4' energy: -131.630
flat angles C4'-P-C4' energy: -154.736
flat angles P-C4'-P energy: -98.366
tors. eta vs tors. theta energy: -219.550
Dist. restrs. and SS energy: 3.173 (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: 9
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -2296.171146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2296.171146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2306.327177 (E_RNA)
where:
Base-Base interactions energy: -1629.042
where: short stacking energy: -675.641
Base-Backbone interact. energy: 0.099
local terms energy: -677.383891
where:
bonds (distance) C4'-P energy: -118.814
bonds (distance) P-C4' energy: -110.847
flat angles C4'-P-C4' energy: -146.174
flat angles P-C4'-P energy: -108.600
tors. eta vs tors. theta energy: -192.950
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: 8, replica: 4
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -2158.471296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2158.471296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2175.859631 (E_RNA)
where:
Base-Base interactions energy: -1522.447
where: short stacking energy: -650.016
Base-Backbone interact. energy: -4.412
local terms energy: -649.000739
where:
bonds (distance) C4'-P energy: -105.738
bonds (distance) P-C4' energy: -122.041
flat angles C4'-P-C4' energy: -148.896
flat angles P-C4'-P energy: -77.692
tors. eta vs tors. theta energy: -194.634
Dist. restrs. and SS energy: 17.388 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -2108.752275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2108.752275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2118.197972 (E_RNA)
where:
Base-Base interactions energy: -1491.395
where: short stacking energy: -627.840
Base-Backbone interact. energy: -1.962
local terms energy: -624.841854
where:
bonds (distance) C4'-P energy: -123.568
bonds (distance) P-C4' energy: -110.087
flat angles C4'-P-C4' energy: -133.494
flat angles P-C4'-P energy: -78.956
tors. eta vs tors. theta energy: -178.737
Dist. restrs. and SS energy: 9.446 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -1916.303196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.303196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.918408 (E_RNA)
where:
Base-Base interactions energy: -1353.924
where: short stacking energy: -555.708
Base-Backbone interact. energy: 3.277
local terms energy: -589.271359
where:
bonds (distance) C4'-P energy: -108.416
bonds (distance) P-C4' energy: -122.735
flat angles C4'-P-C4' energy: -129.940
flat angles P-C4'-P energy: -81.392
tors. eta vs tors. theta energy: -146.789
Dist. restrs. and SS energy: 23.615 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -2730.176312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2730.176312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2736.144050 (E_RNA)
where:
Base-Base interactions energy: -1917.165
where: short stacking energy: -815.344
Base-Backbone interact. energy: 0.071
local terms energy: -819.050104
where:
bonds (distance) C4'-P energy: -140.880
bonds (distance) P-C4' energy: -138.600
flat angles C4'-P-C4' energy: -169.114
flat angles P-C4'-P energy: -126.653
tors. eta vs tors. theta energy: -243.803
Dist. restrs. and SS energy: 5.968 (S_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: 184
Temperature: 0.950000
Total energy: -2627.846972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2627.846972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2632.651950 (E_RNA)
where:
Base-Base interactions energy: -1832.488
where: short stacking energy: -800.466
Base-Backbone interact. energy: -2.085
local terms energy: -798.078312
where:
bonds (distance) C4'-P energy: -125.527
bonds (distance) P-C4' energy: -153.440
flat angles C4'-P-C4' energy: -162.171
flat angles P-C4'-P energy: -117.686
tors. eta vs tors. theta energy: -239.255
Dist. restrs. and SS energy: 4.805 (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: 5
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -2544.248262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2544.248262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2550.331636 (E_RNA)
where:
Base-Base interactions energy: -1774.545
where: short stacking energy: -767.774
Base-Backbone interact. energy: -4.158
local terms energy: -771.628615
where:
bonds (distance) C4'-P energy: -139.091
bonds (distance) P-C4' energy: -130.234
flat angles C4'-P-C4' energy: -165.077
flat angles P-C4'-P energy: -118.474
tors. eta vs tors. theta energy: -218.753
Dist. restrs. and SS energy: 6.083 (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: 10
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -2507.588397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2507.588397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2512.803751 (E_RNA)
where:
Base-Base interactions energy: -1774.988
where: short stacking energy: -756.194
Base-Backbone interact. energy: -2.354
local terms energy: -735.462124
where:
bonds (distance) C4'-P energy: -137.684
bonds (distance) P-C4' energy: -132.412
flat angles C4'-P-C4' energy: -152.502
flat angles P-C4'-P energy: -87.283
tors. eta vs tors. theta energy: -225.581
Dist. restrs. and SS energy: 5.215 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -2404.559610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2404.559610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2416.631059 (E_RNA)
where:
Base-Base interactions energy: -1699.635
where: short stacking energy: -709.522
Base-Backbone interact. energy: -3.129
local terms energy: -713.867778
where:
bonds (distance) C4'-P energy: -129.523
bonds (distance) P-C4' energy: -128.749
flat angles C4'-P-C4' energy: -149.469
flat angles P-C4'-P energy: -98.423
tors. eta vs tors. theta energy: -207.704
Dist. restrs. and SS energy: 12.071 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -2334.485024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2334.485024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2341.228524 (E_RNA)
where:
Base-Base interactions energy: -1678.118
where: short stacking energy: -710.829
Base-Backbone interact. energy: 2.016
local terms energy: -665.126830
where:
bonds (distance) C4'-P energy: -118.906
bonds (distance) P-C4' energy: -118.171
flat angles C4'-P-C4' energy: -136.649
flat angles P-C4'-P energy: -81.092
tors. eta vs tors. theta energy: -210.309
Dist. restrs. and SS energy: 6.744 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -2257.169172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2257.169172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2267.006928 (E_RNA)
where:
Base-Base interactions energy: -1601.245
where: short stacking energy: -664.907
Base-Backbone interact. energy: -4.295
local terms energy: -661.466991
where:
bonds (distance) C4'-P energy: -100.447
bonds (distance) P-C4' energy: -112.774
flat angles C4'-P-C4' energy: -145.176
flat angles P-C4'-P energy: -102.962
tors. eta vs tors. theta energy: -200.108
Dist. restrs. and SS energy: 9.838 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -2205.465542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2205.465542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2220.249880 (E_RNA)
where:
Base-Base interactions energy: -1552.600
where: short stacking energy: -664.463
Base-Backbone interact. energy: -1.284
local terms energy: -666.365587
where:
bonds (distance) C4'-P energy: -124.634
bonds (distance) P-C4' energy: -108.898
flat angles C4'-P-C4' energy: -148.741
flat angles P-C4'-P energy: -93.698
tors. eta vs tors. theta energy: -190.395
Dist. restrs. and SS energy: 14.784 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -2100.542622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2100.542622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2114.089786 (E_RNA)
where:
Base-Base interactions energy: -1460.204
where: short stacking energy: -587.475
Base-Backbone interact. energy: -1.526
local terms energy: -652.359387
where:
bonds (distance) C4'-P energy: -104.811
bonds (distance) P-C4' energy: -128.398
flat angles C4'-P-C4' energy: -153.579
flat angles P-C4'-P energy: -89.396
tors. eta vs tors. theta energy: -176.176
Dist. restrs. and SS energy: 13.547 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -1871.892424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.892424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1882.012110 (E_RNA)
where:
Base-Base interactions energy: -1357.781
where: short stacking energy: -528.342
Base-Backbone interact. energy: -3.244
local terms energy: -520.986536
where:
bonds (distance) C4'-P energy: -93.599
bonds (distance) P-C4' energy: -93.888
flat angles C4'-P-C4' energy: -127.503
flat angles P-C4'-P energy: -60.909
tors. eta vs tors. theta energy: -145.088
Dist. restrs. and SS energy: 10.120 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -2739.921200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2739.921200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2742.698913 (E_RNA)
where:
Base-Base interactions energy: -1906.705
where: short stacking energy: -815.672
Base-Backbone interact. energy: -2.950
local terms energy: -833.043221
where:
bonds (distance) C4'-P energy: -144.932
bonds (distance) P-C4' energy: -150.670
flat angles C4'-P-C4' energy: -165.154
flat angles P-C4'-P energy: -131.594
tors. eta vs tors. theta energy: -240.694
Dist. restrs. and SS energy: 2.778 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -2607.626682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2607.626682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2613.438715 (E_RNA)
where:
Base-Base interactions energy: -1824.507
where: short stacking energy: -781.577
Base-Backbone interact. energy: -3.208
local terms energy: -785.723251
where:
bonds (distance) C4'-P energy: -131.395
bonds (distance) P-C4' energy: -135.159
flat angles C4'-P-C4' energy: -164.820
flat angles P-C4'-P energy: -122.681
tors. eta vs tors. theta energy: -231.669
Dist. restrs. and SS energy: 5.812 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -2587.458532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2587.458532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2595.077601 (E_RNA)
where:
Base-Base interactions energy: -1823.999
where: short stacking energy: -765.377
Base-Backbone interact. energy: -3.037
local terms energy: -768.040827
where:
bonds (distance) C4'-P energy: -138.732
bonds (distance) P-C4' energy: -140.652
flat angles C4'-P-C4' energy: -162.965
flat angles P-C4'-P energy: -94.424
tors. eta vs tors. theta energy: -231.268
Dist. restrs. and SS energy: 7.619 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -2486.449582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2486.449582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2492.051150 (E_RNA)
where:
Base-Base interactions energy: -1743.293
where: short stacking energy: -756.531
Base-Backbone interact. energy: 4.565
local terms energy: -753.322825
where:
bonds (distance) C4'-P energy: -130.316
bonds (distance) P-C4' energy: -137.600
flat angles C4'-P-C4' energy: -159.581
flat angles P-C4'-P energy: -103.044
tors. eta vs tors. theta energy: -222.782
Dist. restrs. and SS energy: 5.602 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -2408.957521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2408.957521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2419.948264 (E_RNA)
where:
Base-Base interactions energy: -1702.980
where: short stacking energy: -732.141
Base-Backbone interact. energy: 0.317
local terms energy: -717.285199
where:
bonds (distance) C4'-P energy: -123.316
bonds (distance) P-C4' energy: -140.693
flat angles C4'-P-C4' energy: -142.435
flat angles P-C4'-P energy: -88.258
tors. eta vs tors. theta energy: -222.582
Dist. restrs. and SS energy: 10.991 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -2335.787865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2335.787865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2341.847549 (E_RNA)
where:
Base-Base interactions energy: -1625.356
where: short stacking energy: -688.721
Base-Backbone interact. energy: -1.614
local terms energy: -714.877509
where:
bonds (distance) C4'-P energy: -123.356
bonds (distance) P-C4' energy: -117.792
flat angles C4'-P-C4' energy: -156.369
flat angles P-C4'-P energy: -106.810
tors. eta vs tors. theta energy: -210.550
Dist. restrs. and SS energy: 6.060 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -2277.622094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2277.622094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2296.578200 (E_RNA)
where:
Base-Base interactions energy: -1610.344
where: short stacking energy: -659.302
Base-Backbone interact. energy: -4.517
local terms energy: -681.716874
where:
bonds (distance) C4'-P energy: -108.420
bonds (distance) P-C4' energy: -131.643
flat angles C4'-P-C4' energy: -141.906
flat angles P-C4'-P energy: -105.128
tors. eta vs tors. theta energy: -194.619
Dist. restrs. and SS energy: 18.956 (S_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: 185
Temperature: 1.250000
Total energy: -2212.514126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2212.514126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2222.817412 (E_RNA)
where:
Base-Base interactions energy: -1543.254
where: short stacking energy: -657.658
Base-Backbone interact. energy: -1.020
local terms energy: -678.543009
where:
bonds (distance) C4'-P energy: -130.492
bonds (distance) P-C4' energy: -126.309
flat angles C4'-P-C4' energy: -131.027
flat angles P-C4'-P energy: -91.452
tors. eta vs tors. theta energy: -199.263
Dist. restrs. and SS energy: 10.303 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -2122.570648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2122.570648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2134.548163 (E_RNA)
where:
Base-Base interactions energy: -1506.807
where: short stacking energy: -630.769
Base-Backbone interact. energy: -0.803
local terms energy: -626.938038
where:
bonds (distance) C4'-P energy: -113.420
bonds (distance) P-C4' energy: -133.549
flat angles C4'-P-C4' energy: -117.439
flat angles P-C4'-P energy: -88.186
tors. eta vs tors. theta energy: -174.343
Dist. restrs. and SS energy: 11.978 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -1894.982133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.982133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.628287 (E_RNA)
where:
Base-Base interactions energy: -1369.206
where: short stacking energy: -550.853
Base-Backbone interact. energy: -4.196
local terms energy: -543.225745
where:
bonds (distance) C4'-P energy: -105.480
bonds (distance) P-C4' energy: -109.301
flat angles C4'-P-C4' energy: -114.463
flat angles P-C4'-P energy: -60.321
tors. eta vs tors. theta energy: -153.662
Dist. restrs. and SS energy: 21.646 (S_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: 186
Temperature: 0.900000
Total energy: -2720.903228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2720.903228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2724.808111 (E_RNA)
where:
Base-Base interactions energy: -1898.046
where: short stacking energy: -807.008
Base-Backbone interact. energy: -0.665
local terms energy: -826.097120
where:
bonds (distance) C4'-P energy: -149.420
bonds (distance) P-C4' energy: -157.769
flat angles C4'-P-C4' energy: -170.813
flat angles P-C4'-P energy: -113.419
tors. eta vs tors. theta energy: -234.676
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: 5
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -2619.861597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2619.861597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2624.314691 (E_RNA)
where:
Base-Base interactions energy: -1799.404
where: short stacking energy: -765.134
Base-Backbone interact. energy: -1.525
local terms energy: -823.385259
where:
bonds (distance) C4'-P energy: -151.439
bonds (distance) P-C4' energy: -145.221
flat angles C4'-P-C4' energy: -164.038
flat angles P-C4'-P energy: -125.079
tors. eta vs tors. theta energy: -237.608
Dist. restrs. and SS energy: 4.453 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -2588.071914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2588.071914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2594.580361 (E_RNA)
where:
Base-Base interactions energy: -1823.072
where: short stacking energy: -777.765
Base-Backbone interact. energy: -1.667
local terms energy: -769.841021
where:
bonds (distance) C4'-P energy: -143.194
bonds (distance) P-C4' energy: -132.875
flat angles C4'-P-C4' energy: -152.443
flat angles P-C4'-P energy: -114.261
tors. eta vs tors. theta energy: -227.069
Dist. restrs. and SS energy: 6.508 (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: 186
Temperature: 1.050000
Total energy: -2472.700434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2472.700434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2479.474739 (E_RNA)
where:
Base-Base interactions energy: -1763.194
where: short stacking energy: -758.112
Base-Backbone interact. energy: -1.643
local terms energy: -714.638158
where:
bonds (distance) C4'-P energy: -124.482
bonds (distance) P-C4' energy: -102.947
flat angles C4'-P-C4' energy: -152.625
flat angles P-C4'-P energy: -106.416
tors. eta vs tors. theta energy: -228.168
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: 7
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -2403.135120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2403.135120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2413.206701 (E_RNA)
where:
Base-Base interactions energy: -1704.312
where: short stacking energy: -719.284
Base-Backbone interact. energy: -3.052
local terms energy: -705.842634
where:
bonds (distance) C4'-P energy: -114.426
bonds (distance) P-C4' energy: -128.006
flat angles C4'-P-C4' energy: -144.363
flat angles P-C4'-P energy: -89.963
tors. eta vs tors. theta energy: -229.084
Dist. restrs. and SS energy: 10.072 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -2353.728339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2353.728339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2357.768979 (E_RNA)
where:
Base-Base interactions energy: -1635.712
where: short stacking energy: -677.965
Base-Backbone interact. energy: 1.526
local terms energy: -723.582963
where:
bonds (distance) C4'-P energy: -134.724
bonds (distance) P-C4' energy: -127.901
flat angles C4'-P-C4' energy: -144.307
flat angles P-C4'-P energy: -107.402
tors. eta vs tors. theta energy: -209.249
Dist. restrs. and SS energy: 4.041 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -2248.468168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2248.468168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2259.916850 (E_RNA)
where:
Base-Base interactions energy: -1589.753
where: short stacking energy: -641.621
Base-Backbone interact. energy: -2.120
local terms energy: -668.043506
where:
bonds (distance) C4'-P energy: -104.821
bonds (distance) P-C4' energy: -138.132
flat angles C4'-P-C4' energy: -146.031
flat angles P-C4'-P energy: -90.538
tors. eta vs tors. theta energy: -188.521
Dist. restrs. and SS energy: 11.449 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -2206.897201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2206.897201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2218.028080 (E_RNA)
where:
Base-Base interactions energy: -1575.979
where: short stacking energy: -636.690
Base-Backbone interact. energy: 1.091
local terms energy: -643.140199
where:
bonds (distance) C4'-P energy: -101.863
bonds (distance) P-C4' energy: -127.376
flat angles C4'-P-C4' energy: -150.185
flat angles P-C4'-P energy: -82.891
tors. eta vs tors. theta energy: -180.825
Dist. restrs. and SS energy: 11.131 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -2142.373441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2142.373441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2151.398441 (E_RNA)
where:
Base-Base interactions energy: -1536.519
where: short stacking energy: -634.559
Base-Backbone interact. energy: 4.775
local terms energy: -619.655242
where:
bonds (distance) C4'-P energy: -121.038
bonds (distance) P-C4' energy: -106.132
flat angles C4'-P-C4' energy: -130.787
flat angles P-C4'-P energy: -71.554
tors. eta vs tors. theta energy: -190.144
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: 10, replica: 1
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -1887.778070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1887.778070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.804186 (E_RNA)
where:
Base-Base interactions energy: -1320.213
where: short stacking energy: -566.374
Base-Backbone interact. energy: -4.122
local terms energy: -599.468760
where:
bonds (distance) C4'-P energy: -105.868
bonds (distance) P-C4' energy: -121.496
flat angles C4'-P-C4' energy: -136.570
flat angles P-C4'-P energy: -78.670
tors. eta vs tors. theta energy: -156.866
Dist. restrs. and SS energy: 36.026 (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: 8
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -2732.993765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2732.993765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2737.318393 (E_RNA)
where:
Base-Base interactions energy: -1904.130
where: short stacking energy: -815.417
Base-Backbone interact. energy: -0.960
local terms energy: -832.228237
where:
bonds (distance) C4'-P energy: -140.460
bonds (distance) P-C4' energy: -148.802
flat angles C4'-P-C4' energy: -174.690
flat angles P-C4'-P energy: -119.194
tors. eta vs tors. theta energy: -249.083
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: 5
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -2633.851950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2633.851950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2638.701921 (E_RNA)
where:
Base-Base interactions energy: -1826.127
where: short stacking energy: -775.526
Base-Backbone interact. energy: -0.478
local terms energy: -812.096231
where:
bonds (distance) C4'-P energy: -146.056
bonds (distance) P-C4' energy: -161.748
flat angles C4'-P-C4' energy: -164.134
flat angles P-C4'-P energy: -103.521
tors. eta vs tors. theta energy: -236.638
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: 3, replica: 3
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -2618.260854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2618.260854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2624.131137 (E_RNA)
where:
Base-Base interactions energy: -1825.348
where: short stacking energy: -793.785
Base-Backbone interact. energy: -1.925
local terms energy: -796.858457
where:
bonds (distance) C4'-P energy: -142.362
bonds (distance) P-C4' energy: -153.490
flat angles C4'-P-C4' energy: -149.219
flat angles P-C4'-P energy: -115.517
tors. eta vs tors. theta energy: -236.271
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: 4, replica: 10
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -2522.780705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2522.780705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2531.495787 (E_RNA)
where:
Base-Base interactions energy: -1776.374
where: short stacking energy: -763.468
Base-Backbone interact. energy: -1.135
local terms energy: -753.986784
where:
bonds (distance) C4'-P energy: -135.103
bonds (distance) P-C4' energy: -123.132
flat angles C4'-P-C4' energy: -161.904
flat angles P-C4'-P energy: -109.189
tors. eta vs tors. theta energy: -224.658
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: 7
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -2405.722277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2405.722277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2416.873235 (E_RNA)
where:
Base-Base interactions energy: -1700.226
where: short stacking energy: -697.853
Base-Backbone interact. energy: -0.802
local terms energy: -715.845380
where:
bonds (distance) C4'-P energy: -129.393
bonds (distance) P-C4' energy: -109.127
flat angles C4'-P-C4' energy: -146.083
flat angles P-C4'-P energy: -111.434
tors. eta vs tors. theta energy: -219.808
Dist. restrs. and SS energy: 11.151 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -2388.149602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2388.149602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2395.304223 (E_RNA)
where:
Base-Base interactions energy: -1690.077
where: short stacking energy: -710.725
Base-Backbone interact. energy: -1.491
local terms energy: -703.736121
where:
bonds (distance) C4'-P energy: -115.837
bonds (distance) P-C4' energy: -131.728
flat angles C4'-P-C4' energy: -140.607
flat angles P-C4'-P energy: -104.612
tors. eta vs tors. theta energy: -210.953
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: 7, replica: 4
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -2284.142775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2284.142775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2293.386414 (E_RNA)
where:
Base-Base interactions energy: -1598.535
where: short stacking energy: -691.306
Base-Backbone interact. energy: 0.147
local terms energy: -694.998940
where:
bonds (distance) C4'-P energy: -115.381
bonds (distance) P-C4' energy: -107.873
flat angles C4'-P-C4' energy: -156.670
flat angles P-C4'-P energy: -112.221
tors. eta vs tors. theta energy: -202.853
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: 9
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -2203.321198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2203.321198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2217.376560 (E_RNA)
where:
Base-Base interactions energy: -1580.028
where: short stacking energy: -638.320
Base-Backbone interact. energy: 0.213
local terms energy: -637.561907
where:
bonds (distance) C4'-P energy: -116.806
bonds (distance) P-C4' energy: -112.734
flat angles C4'-P-C4' energy: -134.488
flat angles P-C4'-P energy: -84.539
tors. eta vs tors. theta energy: -188.994
Dist. restrs. and SS energy: 14.055 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -2109.486623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2109.486623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2122.249346 (E_RNA)
where:
Base-Base interactions energy: -1504.349
where: short stacking energy: -636.149
Base-Backbone interact. energy: 2.801
local terms energy: -620.701852
where:
bonds (distance) C4'-P energy: -110.373
bonds (distance) P-C4' energy: -125.120
flat angles C4'-P-C4' energy: -139.040
flat angles P-C4'-P energy: -79.107
tors. eta vs tors. theta energy: -167.062
Dist. restrs. and SS energy: 12.763 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -1888.517039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.517039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.836480 (E_RNA)
where:
Base-Base interactions energy: -1305.781
where: short stacking energy: -514.495
Base-Backbone interact. energy: 1.522
local terms energy: -612.577303
where:
bonds (distance) C4'-P energy: -130.541
bonds (distance) P-C4' energy: -135.142
flat angles C4'-P-C4' energy: -104.669
flat angles P-C4'-P energy: -98.152
tors. eta vs tors. theta energy: -144.073
Dist. restrs. and SS energy: 28.319 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -2727.767533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2727.767533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2731.481829 (E_RNA)
where:
Base-Base interactions energy: -1896.930
where: short stacking energy: -814.739
Base-Backbone interact. energy: -2.359
local terms energy: -832.193315
where:
bonds (distance) C4'-P energy: -152.785
bonds (distance) P-C4' energy: -143.481
flat angles C4'-P-C4' energy: -168.561
flat angles P-C4'-P energy: -122.824
tors. eta vs tors. theta energy: -244.542
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: 5
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -2647.966534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2647.966534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2653.679540 (E_RNA)
where:
Base-Base interactions energy: -1850.245
where: short stacking energy: -791.618
Base-Backbone interact. energy: 2.955
local terms energy: -806.389876
where:
bonds (distance) C4'-P energy: -139.665
bonds (distance) P-C4' energy: -159.954
flat angles C4'-P-C4' energy: -167.508
flat angles P-C4'-P energy: -98.185
tors. eta vs tors. theta energy: -241.078
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: 3, replica: 3
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -2610.550459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2610.550459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2617.422916 (E_RNA)
where:
Base-Base interactions energy: -1826.991
where: short stacking energy: -777.645
Base-Backbone interact. energy: -5.217
local terms energy: -785.215705
where:
bonds (distance) C4'-P energy: -124.831
bonds (distance) P-C4' energy: -128.575
flat angles C4'-P-C4' energy: -171.375
flat angles P-C4'-P energy: -113.529
tors. eta vs tors. theta energy: -246.906
Dist. restrs. and SS energy: 6.872 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -2510.353089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2510.353089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2517.246750 (E_RNA)
where:
Base-Base interactions energy: -1771.761
where: short stacking energy: -758.911
Base-Backbone interact. energy: 0.707
local terms energy: -746.192518
where:
bonds (distance) C4'-P energy: -118.625
bonds (distance) P-C4' energy: -133.344
flat angles C4'-P-C4' energy: -160.453
flat angles P-C4'-P energy: -104.708
tors. eta vs tors. theta energy: -229.062
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: 5, replica: 7
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -2419.224737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2419.224737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2426.269975 (E_RNA)
where:
Base-Base interactions energy: -1703.785
where: short stacking energy: -695.775
Base-Backbone interact. energy: 1.928
local terms energy: -724.412563
where:
bonds (distance) C4'-P energy: -137.849
bonds (distance) P-C4' energy: -125.144
flat angles C4'-P-C4' energy: -143.342
flat angles P-C4'-P energy: -104.009
tors. eta vs tors. theta energy: -214.069
Dist. restrs. and SS energy: 7.045 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -2351.159648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2351.159648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2356.597186 (E_RNA)
where:
Base-Base interactions energy: -1649.128
where: short stacking energy: -707.724
Base-Backbone interact. energy: -4.926
local terms energy: -702.543341
where:
bonds (distance) C4'-P energy: -113.377
bonds (distance) P-C4' energy: -131.214
flat angles C4'-P-C4' energy: -150.115
flat angles P-C4'-P energy: -87.656
tors. eta vs tors. theta energy: -220.182
Dist. restrs. and SS energy: 5.438 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -2241.207139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2241.207139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2251.434964 (E_RNA)
where:
Base-Base interactions energy: -1585.730
where: short stacking energy: -669.997
Base-Backbone interact. energy: -1.953
local terms energy: -663.751665
where:
bonds (distance) C4'-P energy: -121.986
bonds (distance) P-C4' energy: -113.929
flat angles C4'-P-C4' energy: -132.456
flat angles P-C4'-P energy: -105.281
tors. eta vs tors. theta energy: -190.099
Dist. restrs. and SS energy: 10.228 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -2202.934197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2202.934197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2211.600485 (E_RNA)
where:
Base-Base interactions energy: -1555.876
where: short stacking energy: -641.344
Base-Backbone interact. energy: 3.290
local terms energy: -659.014277
where:
bonds (distance) C4'-P energy: -137.476
bonds (distance) P-C4' energy: -119.182
flat angles C4'-P-C4' energy: -128.892
flat angles P-C4'-P energy: -88.100
tors. eta vs tors. theta energy: -185.364
Dist. restrs. and SS energy: 8.666 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -2080.564002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2080.564002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2090.608196 (E_RNA)
where:
Base-Base interactions energy: -1493.564
where: short stacking energy: -618.398
Base-Backbone interact. energy: 4.953
local terms energy: -601.997276
where:
bonds (distance) C4'-P energy: -94.285
bonds (distance) P-C4' energy: -116.409
flat angles C4'-P-C4' energy: -120.268
flat angles P-C4'-P energy: -84.559
tors. eta vs tors. theta energy: -186.477
Dist. restrs. and SS energy: 10.044 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -1885.441530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1885.441530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1915.324166 (E_RNA)
where:
Base-Base interactions energy: -1337.397
where: short stacking energy: -573.815
Base-Backbone interact. energy: -0.979
local terms energy: -576.947251
where:
bonds (distance) C4'-P energy: -116.356
bonds (distance) P-C4' energy: -110.659
flat angles C4'-P-C4' energy: -119.392
flat angles P-C4'-P energy: -74.492
tors. eta vs tors. theta energy: -156.049
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: 1, replica: 8
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -2742.847991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2742.847991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2746.830951 (E_RNA)
where:
Base-Base interactions energy: -1915.996
where: short stacking energy: -826.193
Base-Backbone interact. energy: -0.708
local terms energy: -830.127069
where:
bonds (distance) C4'-P energy: -146.313
bonds (distance) P-C4' energy: -150.969
flat angles C4'-P-C4' energy: -168.854
flat angles P-C4'-P energy: -110.791
tors. eta vs tors. theta energy: -253.200
Dist. restrs. and SS energy: 3.983 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -2636.747075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2636.747075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2643.488268 (E_RNA)
where:
Base-Base interactions energy: -1840.278
where: short stacking energy: -791.178
Base-Backbone interact. energy: -1.517
local terms energy: -801.692777
where:
bonds (distance) C4'-P energy: -148.270
bonds (distance) P-C4' energy: -133.540
flat angles C4'-P-C4' energy: -172.652
flat angles P-C4'-P energy: -106.547
tors. eta vs tors. theta energy: -240.684
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: 3, replica: 3
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -2613.340127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2613.340127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2622.751742 (E_RNA)
where:
Base-Base interactions energy: -1816.842
where: short stacking energy: -754.714
Base-Backbone interact. energy: -4.624
local terms energy: -801.286498
where:
bonds (distance) C4'-P energy: -141.069
bonds (distance) P-C4' energy: -147.115
flat angles C4'-P-C4' energy: -155.735
flat angles P-C4'-P energy: -117.508
tors. eta vs tors. theta energy: -239.859
Dist. restrs. and SS energy: 9.412 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -2470.626944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2470.626944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2477.276631 (E_RNA)
where:
Base-Base interactions energy: -1709.372
where: short stacking energy: -752.155
Base-Backbone interact. energy: 0.824
local terms energy: -768.728508
where:
bonds (distance) C4'-P energy: -117.325
bonds (distance) P-C4' energy: -147.564
flat angles C4'-P-C4' energy: -160.714
flat angles P-C4'-P energy: -109.478
tors. eta vs tors. theta energy: -233.648
Dist. restrs. and SS energy: 6.650 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -2389.118219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2389.118219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2404.427807 (E_RNA)
where:
Base-Base interactions energy: -1712.750
where: short stacking energy: -705.574
Base-Backbone interact. energy: 0.458
local terms energy: -692.135574
where:
bonds (distance) C4'-P energy: -122.756
bonds (distance) P-C4' energy: -121.303
flat angles C4'-P-C4' energy: -141.865
flat angles P-C4'-P energy: -98.390
tors. eta vs tors. theta energy: -207.820
Dist. restrs. and SS energy: 15.310 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -2355.806994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2355.806994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2358.752489 (E_RNA)
where:
Base-Base interactions energy: -1664.719
where: short stacking energy: -707.200
Base-Backbone interact. energy: 10.533
local terms energy: -704.565608
where:
bonds (distance) C4'-P energy: -117.281
bonds (distance) P-C4' energy: -118.173
flat angles C4'-P-C4' energy: -147.385
flat angles P-C4'-P energy: -111.765
tors. eta vs tors. theta energy: -209.961
Dist. restrs. and SS energy: 2.945 (S_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: -2264.755194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2264.755194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2279.665112 (E_RNA)
where:
Base-Base interactions energy: -1558.657
where: short stacking energy: -630.317
Base-Backbone interact. energy: 3.471
local terms energy: -724.479188
where:
bonds (distance) C4'-P energy: -128.952
bonds (distance) P-C4' energy: -130.294
flat angles C4'-P-C4' energy: -164.508
flat angles P-C4'-P energy: -96.055
tors. eta vs tors. theta energy: -204.670
Dist. restrs. and SS energy: 14.910 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -2200.125296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2200.125296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2207.232253 (E_RNA)
where:
Base-Base interactions energy: -1554.200
where: short stacking energy: -655.572
Base-Backbone interact. energy: -4.385
local terms energy: -648.647062
where:
bonds (distance) C4'-P energy: -121.306
bonds (distance) P-C4' energy: -113.568
flat angles C4'-P-C4' energy: -133.040
flat angles P-C4'-P energy: -80.612
tors. eta vs tors. theta energy: -200.120
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: 9, replica: 9
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -2106.213207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2106.213207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2121.050075 (E_RNA)
where:
Base-Base interactions energy: -1490.897
where: short stacking energy: -625.431
Base-Backbone interact. energy: -0.392
local terms energy: -629.761629
where:
bonds (distance) C4'-P energy: -109.660
bonds (distance) P-C4' energy: -131.635
flat angles C4'-P-C4' energy: -127.918
flat angles P-C4'-P energy: -87.922
tors. eta vs tors. theta energy: -172.626
Dist. restrs. and SS energy: 14.837 (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: 1
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -1919.940544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.940544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1940.177079 (E_RNA)
where:
Base-Base interactions energy: -1362.201
where: short stacking energy: -551.120
Base-Backbone interact. energy: -2.502
local terms energy: -575.473547
where:
bonds (distance) C4'-P energy: -110.626
bonds (distance) P-C4' energy: -97.383
flat angles C4'-P-C4' energy: -136.116
flat angles P-C4'-P energy: -88.026
tors. eta vs tors. theta energy: -143.322
Dist. restrs. and SS energy: 20.237 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -2721.649862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2721.649862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2725.468536 (E_RNA)
where:
Base-Base interactions energy: -1905.937
where: short stacking energy: -809.382
Base-Backbone interact. energy: 1.501
local terms energy: -821.032748
where:
bonds (distance) C4'-P energy: -152.679
bonds (distance) P-C4' energy: -142.733
flat angles C4'-P-C4' energy: -166.176
flat angles P-C4'-P energy: -118.623
tors. eta vs tors. theta energy: -240.821
Dist. restrs. and SS energy: 3.819 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -2599.221852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2599.221852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2607.045023 (E_RNA)
where:
Base-Base interactions energy: -1809.064
where: short stacking energy: -767.673
Base-Backbone interact. energy: -2.342
local terms energy: -795.638907
where:
bonds (distance) C4'-P energy: -143.441
bonds (distance) P-C4' energy: -142.213
flat angles C4'-P-C4' energy: -159.676
flat angles P-C4'-P energy: -120.417
tors. eta vs tors. theta energy: -229.891
Dist. restrs. and SS energy: 7.823 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -2560.624488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2560.624488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2567.216421 (E_RNA)
where:
Base-Base interactions energy: -1776.624
where: short stacking energy: -742.545
Base-Backbone interact. energy: -1.874
local terms energy: -788.718189
where:
bonds (distance) C4'-P energy: -126.092
bonds (distance) P-C4' energy: -150.602
flat angles C4'-P-C4' energy: -169.999
flat angles P-C4'-P energy: -107.510
tors. eta vs tors. theta energy: -234.515
Dist. restrs. and SS energy: 6.592 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -2525.158978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2525.158978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2534.842221 (E_RNA)
where:
Base-Base interactions energy: -1787.826
where: short stacking energy: -761.414
Base-Backbone interact. energy: -1.865
local terms energy: -745.151217
where:
bonds (distance) C4'-P energy: -129.708
bonds (distance) P-C4' energy: -125.260
flat angles C4'-P-C4' energy: -160.745
flat angles P-C4'-P energy: -106.706
tors. eta vs tors. theta energy: -222.733
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: 5, replica: 7
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -2393.147834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2393.147834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2402.700445 (E_RNA)
where:
Base-Base interactions energy: -1703.634
where: short stacking energy: -708.695
Base-Backbone interact. energy: 1.828
local terms energy: -700.894384
where:
bonds (distance) C4'-P energy: -117.176
bonds (distance) P-C4' energy: -130.223
flat angles C4'-P-C4' energy: -155.704
flat angles P-C4'-P energy: -88.144
tors. eta vs tors. theta energy: -209.648
Dist. restrs. and SS energy: 9.553 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -2389.174735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2389.174735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2394.878239 (E_RNA)
where:
Base-Base interactions energy: -1712.061
where: short stacking energy: -728.532
Base-Backbone interact. energy: -2.848
local terms energy: -679.969310
where:
bonds (distance) C4'-P energy: -131.960
bonds (distance) P-C4' energy: -109.543
flat angles C4'-P-C4' energy: -139.966
flat angles P-C4'-P energy: -90.634
tors. eta vs tors. theta energy: -207.867
Dist. restrs. and SS energy: 5.704 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -2270.795824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2270.795824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2286.211089 (E_RNA)
where:
Base-Base interactions energy: -1588.721
where: short stacking energy: -671.789
Base-Backbone interact. energy: -0.336
local terms energy: -697.154162
where:
bonds (distance) C4'-P energy: -132.818
bonds (distance) P-C4' energy: -114.168
flat angles C4'-P-C4' energy: -152.396
flat angles P-C4'-P energy: -100.163
tors. eta vs tors. theta energy: -197.610
Dist. restrs. and SS energy: 15.415 (S_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: 190
Temperature: 1.250000
Total energy: -2214.276877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2214.276877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2223.088206 (E_RNA)
where:
Base-Base interactions energy: -1573.502
where: short stacking energy: -660.899
Base-Backbone interact. energy: -2.743
local terms energy: -646.842856
where:
bonds (distance) C4'-P energy: -98.062
bonds (distance) P-C4' energy: -115.801
flat angles C4'-P-C4' energy: -133.285
flat angles P-C4'-P energy: -93.890
tors. eta vs tors. theta energy: -205.805
Dist. restrs. and SS energy: 8.811 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -2135.945680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2135.945680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2154.688751 (E_RNA)
where:
Base-Base interactions energy: -1519.371
where: short stacking energy: -628.324
Base-Backbone interact. energy: 0.299
local terms energy: -635.616712
where:
bonds (distance) C4'-P energy: -117.777
bonds (distance) P-C4' energy: -115.049
flat angles C4'-P-C4' energy: -137.454
flat angles P-C4'-P energy: -86.793
tors. eta vs tors. theta energy: -178.544
Dist. restrs. and SS energy: 18.743 (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: 1
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -1861.544595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1861.544595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.727996 (E_RNA)
where:
Base-Base interactions energy: -1334.543
where: short stacking energy: -540.869
Base-Backbone interact. energy: 1.185
local terms energy: -545.369505
where:
bonds (distance) C4'-P energy: -104.019
bonds (distance) P-C4' energy: -106.802
flat angles C4'-P-C4' energy: -112.654
flat angles P-C4'-P energy: -61.292
tors. eta vs tors. theta energy: -160.602
Dist. restrs. and SS energy: 17.183 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -2735.817381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2735.817381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2739.457885 (E_RNA)
where:
Base-Base interactions energy: -1926.211
where: short stacking energy: -826.117
Base-Backbone interact. energy: -4.195
local terms energy: -809.052221
where:
bonds (distance) C4'-P energy: -127.775
bonds (distance) P-C4' energy: -157.517
flat angles C4'-P-C4' energy: -175.081
flat angles P-C4'-P energy: -112.248
tors. eta vs tors. theta energy: -236.431
Dist. restrs. and SS energy: 3.641 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -2640.076922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2640.076922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2647.803550 (E_RNA)
where:
Base-Base interactions energy: -1872.077
where: short stacking energy: -809.849
Base-Backbone interact. energy: -0.986
local terms energy: -774.740640
where:
bonds (distance) C4'-P energy: -126.561
bonds (distance) P-C4' energy: -148.938
flat angles C4'-P-C4' energy: -164.541
flat angles P-C4'-P energy: -101.597
tors. eta vs tors. theta energy: -233.104
Dist. restrs. and SS energy: 7.727 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -2555.779343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2555.779343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2563.322805 (E_RNA)
where:
Base-Base interactions energy: -1787.541
where: short stacking energy: -766.053
Base-Backbone interact. energy: -2.616
local terms energy: -773.166542
where:
bonds (distance) C4'-P energy: -132.511
bonds (distance) P-C4' energy: -134.576
flat angles C4'-P-C4' energy: -160.338
flat angles P-C4'-P energy: -115.205
tors. eta vs tors. theta energy: -230.537
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: 4, replica: 3
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -2548.594857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2548.594857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2557.172394 (E_RNA)
where:
Base-Base interactions energy: -1817.657
where: short stacking energy: -764.793
Base-Backbone interact. energy: 1.197
local terms energy: -740.712894
where:
bonds (distance) C4'-P energy: -126.216
bonds (distance) P-C4' energy: -127.346
flat angles C4'-P-C4' energy: -167.173
flat angles P-C4'-P energy: -90.966
tors. eta vs tors. theta energy: -229.011
Dist. restrs. and SS energy: 8.578 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -2414.070546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2414.070546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2428.730647 (E_RNA)
where:
Base-Base interactions energy: -1716.382
where: short stacking energy: -714.407
Base-Backbone interact. energy: 5.599
local terms energy: -717.947384
where:
bonds (distance) C4'-P energy: -128.152
bonds (distance) P-C4' energy: -126.119
flat angles C4'-P-C4' energy: -159.920
flat angles P-C4'-P energy: -89.134
tors. eta vs tors. theta energy: -214.623
Dist. restrs. and SS energy: 14.660 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -2397.193848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2397.193848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2402.258181 (E_RNA)
where:
Base-Base interactions energy: -1683.044
where: short stacking energy: -718.631
Base-Backbone interact. energy: 2.591
local terms energy: -721.804965
where:
bonds (distance) C4'-P energy: -138.296
bonds (distance) P-C4' energy: -127.891
flat angles C4'-P-C4' energy: -144.339
flat angles P-C4'-P energy: -106.742
tors. eta vs tors. theta energy: -204.537
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: 7, replica: 4
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -2294.429306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2294.429306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2310.390333 (E_RNA)
where:
Base-Base interactions energy: -1600.362
where: short stacking energy: -669.446
Base-Backbone interact. energy: 2.175
local terms energy: -712.202780
where:
bonds (distance) C4'-P energy: -128.856
bonds (distance) P-C4' energy: -131.578
flat angles C4'-P-C4' energy: -147.154
flat angles P-C4'-P energy: -99.011
tors. eta vs tors. theta energy: -205.604
Dist. restrs. and SS energy: 15.961 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -2185.022316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2185.022316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2190.961446 (E_RNA)
where:
Base-Base interactions energy: -1555.172
where: short stacking energy: -636.456
Base-Backbone interact. energy: 2.288
local terms energy: -638.077107
where:
bonds (distance) C4'-P energy: -108.550
bonds (distance) P-C4' energy: -119.118
flat angles C4'-P-C4' energy: -139.151
flat angles P-C4'-P energy: -80.950
tors. eta vs tors. theta energy: -190.309
Dist. restrs. and SS energy: 5.939 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -2121.240702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2121.240702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2129.689698 (E_RNA)
where:
Base-Base interactions energy: -1525.038
where: short stacking energy: -627.444
Base-Backbone interact. energy: -0.886
local terms energy: -603.766083
where:
bonds (distance) C4'-P energy: -99.233
bonds (distance) P-C4' energy: -107.259
flat angles C4'-P-C4' energy: -139.212
flat angles P-C4'-P energy: -86.567
tors. eta vs tors. theta energy: -171.496
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: 10, replica: 1
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -1834.982763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.982763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.838668 (E_RNA)
where:
Base-Base interactions energy: -1302.603
where: short stacking energy: -559.939
Base-Backbone interact. energy: -0.603
local terms energy: -556.633463
where:
bonds (distance) C4'-P energy: -115.102
bonds (distance) P-C4' energy: -116.651
flat angles C4'-P-C4' energy: -109.813
flat angles P-C4'-P energy: -65.878
tors. eta vs tors. theta energy: -149.190
Dist. restrs. and SS energy: 24.856 (S_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: 192
Temperature: 0.900000
Total energy: -2732.221922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2732.221922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2735.054881 (E_RNA)
where:
Base-Base interactions energy: -1916.473
where: short stacking energy: -817.801
Base-Backbone interact. energy: -2.584
local terms energy: -815.997517
where:
bonds (distance) C4'-P energy: -145.888
bonds (distance) P-C4' energy: -152.564
flat angles C4'-P-C4' energy: -165.048
flat angles P-C4'-P energy: -115.793
tors. eta vs tors. theta energy: -236.704
Dist. restrs. and SS energy: 2.833 (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: 5
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -2634.175931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2634.175931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2638.970292 (E_RNA)
where:
Base-Base interactions energy: -1847.025
where: short stacking energy: -784.321
Base-Backbone interact. energy: -2.998
local terms energy: -788.947365
where:
bonds (distance) C4'-P energy: -134.833
bonds (distance) P-C4' energy: -145.251
flat angles C4'-P-C4' energy: -161.158
flat angles P-C4'-P energy: -110.346
tors. eta vs tors. theta energy: -237.360
Dist. restrs. and SS energy: 4.794 (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: 192
Temperature: 1.000000
Total energy: -2590.775526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2590.775526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2598.236277 (E_RNA)
where:
Base-Base interactions energy: -1809.352
where: short stacking energy: -752.724
Base-Backbone interact. energy: -2.160
local terms energy: -786.724348
where:
bonds (distance) C4'-P energy: -154.672
bonds (distance) P-C4' energy: -126.517
flat angles C4'-P-C4' energy: -153.566
flat angles P-C4'-P energy: -115.369
tors. eta vs tors. theta energy: -236.601
Dist. restrs. and SS energy: 7.461 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -2545.938132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2545.938132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2556.877002 (E_RNA)
where:
Base-Base interactions energy: -1811.496
where: short stacking energy: -756.396
Base-Backbone interact. energy: -0.657
local terms energy: -744.723134
where:
bonds (distance) C4'-P energy: -131.695
bonds (distance) P-C4' energy: -137.769
flat angles C4'-P-C4' energy: -152.162
flat angles P-C4'-P energy: -104.368
tors. eta vs tors. theta energy: -218.730
Dist. restrs. and SS energy: 10.939 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -2372.066787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2372.066787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2382.821936 (E_RNA)
where:
Base-Base interactions energy: -1697.130
where: short stacking energy: -711.117
Base-Backbone interact. energy: -0.987
local terms energy: -684.704329
where:
bonds (distance) C4'-P energy: -106.231
bonds (distance) P-C4' energy: -140.359
flat angles C4'-P-C4' energy: -142.418
flat angles P-C4'-P energy: -88.852
tors. eta vs tors. theta energy: -206.844
Dist. restrs. and SS energy: 10.755 (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: 2
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -2350.374031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2350.374031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2356.762046 (E_RNA)
where:
Base-Base interactions energy: -1677.968
where: short stacking energy: -704.656
Base-Backbone interact. energy: -0.767
local terms energy: -678.027539
where:
bonds (distance) C4'-P energy: -119.443
bonds (distance) P-C4' energy: -126.263
flat angles C4'-P-C4' energy: -152.288
flat angles P-C4'-P energy: -85.871
tors. eta vs tors. theta energy: -194.162
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: 7, replica: 6
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -2224.989939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2224.989939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2235.426020 (E_RNA)
where:
Base-Base interactions energy: -1539.077
where: short stacking energy: -636.409
Base-Backbone interact. energy: -3.077
local terms energy: -693.271848
where:
bonds (distance) C4'-P energy: -125.146
bonds (distance) P-C4' energy: -131.656
flat angles C4'-P-C4' energy: -146.430
flat angles P-C4'-P energy: -107.418
tors. eta vs tors. theta energy: -182.623
Dist. restrs. and SS energy: 10.436 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -2218.967117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2218.967117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2237.344409 (E_RNA)
where:
Base-Base interactions energy: -1553.059
where: short stacking energy: -667.052
Base-Backbone interact. energy: -1.420
local terms energy: -682.866037
where:
bonds (distance) C4'-P energy: -123.227
bonds (distance) P-C4' energy: -126.174
flat angles C4'-P-C4' energy: -161.215
flat angles P-C4'-P energy: -86.495
tors. eta vs tors. theta energy: -185.754
Dist. restrs. and SS energy: 18.377 (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: 9
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -2068.591348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2068.591348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2082.157261 (E_RNA)
where:
Base-Base interactions energy: -1481.623
where: short stacking energy: -608.254
Base-Backbone interact. energy: -0.701
local terms energy: -599.833587
where:
bonds (distance) C4'-P energy: -111.892
bonds (distance) P-C4' energy: -105.726
flat angles C4'-P-C4' energy: -117.123
flat angles P-C4'-P energy: -94.085
tors. eta vs tors. theta energy: -171.008
Dist. restrs. and SS energy: 13.566 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -1904.899803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1904.899803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1925.470847 (E_RNA)
where:
Base-Base interactions energy: -1337.784
where: short stacking energy: -555.019
Base-Backbone interact. energy: -0.579
local terms energy: -587.107232
where:
bonds (distance) C4'-P energy: -109.716
bonds (distance) P-C4' energy: -120.202
flat angles C4'-P-C4' energy: -130.292
flat angles P-C4'-P energy: -68.950
tors. eta vs tors. theta energy: -157.947
Dist. restrs. and SS energy: 20.571 (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: 8
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -2716.069486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2716.069486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2719.393523 (E_RNA)
where:
Base-Base interactions energy: -1897.597
where: short stacking energy: -807.737
Base-Backbone interact. energy: -1.972
local terms energy: -819.824128
where:
bonds (distance) C4'-P energy: -137.211
bonds (distance) P-C4' energy: -138.675
flat angles C4'-P-C4' energy: -176.454
flat angles P-C4'-P energy: -119.409
tors. eta vs tors. theta energy: -248.076
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: 5
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -2671.160176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2671.160176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2676.869044 (E_RNA)
where:
Base-Base interactions energy: -1873.852
where: short stacking energy: -801.929
Base-Backbone interact. energy: -2.165
local terms energy: -800.851964
where:
bonds (distance) C4'-P energy: -143.144
bonds (distance) P-C4' energy: -141.121
flat angles C4'-P-C4' energy: -171.073
flat angles P-C4'-P energy: -108.664
tors. eta vs tors. theta energy: -236.850
Dist. restrs. and SS energy: 5.709 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -2555.960116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2555.960116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2561.490437 (E_RNA)
where:
Base-Base interactions energy: -1785.882
where: short stacking energy: -744.729
Base-Backbone interact. energy: -1.983
local terms energy: -773.625858
where:
bonds (distance) C4'-P energy: -129.679
bonds (distance) P-C4' energy: -142.096
flat angles C4'-P-C4' energy: -164.879
flat angles P-C4'-P energy: -114.957
tors. eta vs tors. theta energy: -222.015
Dist. restrs. and SS energy: 5.530 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -2532.797412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2532.797412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2540.662219 (E_RNA)
where:
Base-Base interactions energy: -1796.468
where: short stacking energy: -776.274
Base-Backbone interact. energy: -3.135
local terms energy: -741.058640
where:
bonds (distance) C4'-P energy: -126.109
bonds (distance) P-C4' energy: -134.899
flat angles C4'-P-C4' energy: -153.410
flat angles P-C4'-P energy: -103.635
tors. eta vs tors. theta energy: -223.005
Dist. restrs. and SS energy: 7.865 (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: 7
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -2383.378546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2383.378546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2396.674758 (E_RNA)
where:
Base-Base interactions energy: -1702.996
where: short stacking energy: -727.652
Base-Backbone interact. energy: 1.780
local terms energy: -695.458675
where:
bonds (distance) C4'-P energy: -109.805
bonds (distance) P-C4' energy: -123.162
flat angles C4'-P-C4' energy: -156.117
flat angles P-C4'-P energy: -91.603
tors. eta vs tors. theta energy: -214.771
Dist. restrs. and SS energy: 13.296 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -2337.325045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2337.325045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2340.861648 (E_RNA)
where:
Base-Base interactions energy: -1639.192
where: short stacking energy: -705.970
Base-Backbone interact. energy: -3.902
local terms energy: -697.766943
where:
bonds (distance) C4'-P energy: -128.080
bonds (distance) P-C4' energy: -126.472
flat angles C4'-P-C4' energy: -148.771
flat angles P-C4'-P energy: -88.566
tors. eta vs tors. theta energy: -205.878
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: 7, replica: 6
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -2251.289020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2251.289020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2261.737299 (E_RNA)
where:
Base-Base interactions energy: -1605.861
where: short stacking energy: -666.729
Base-Backbone interact. energy: 4.454
local terms energy: -660.329930
where:
bonds (distance) C4'-P energy: -123.599
bonds (distance) P-C4' energy: -121.993
flat angles C4'-P-C4' energy: -134.294
flat angles P-C4'-P energy: -84.994
tors. eta vs tors. theta energy: -195.449
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: 8, replica: 4
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -2226.599692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2226.599692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2239.574006 (E_RNA)
where:
Base-Base interactions energy: -1565.591
where: short stacking energy: -640.413
Base-Backbone interact. energy: -0.664
local terms energy: -673.318883
where:
bonds (distance) C4'-P energy: -121.932
bonds (distance) P-C4' energy: -116.777
flat angles C4'-P-C4' energy: -144.217
flat angles P-C4'-P energy: -105.867
tors. eta vs tors. theta energy: -184.527
Dist. restrs. and SS energy: 12.974 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -2082.752156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2082.752156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.578517 (E_RNA)
where:
Base-Base interactions energy: -1450.665
where: short stacking energy: -604.326
Base-Backbone interact. energy: -3.051
local terms energy: -652.862443
where:
bonds (distance) C4'-P energy: -103.069
bonds (distance) P-C4' energy: -141.388
flat angles C4'-P-C4' energy: -143.847
flat angles P-C4'-P energy: -93.573
tors. eta vs tors. theta energy: -170.986
Dist. restrs. and SS energy: 23.826 (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: 1
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -1871.338558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.338558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.179489 (E_RNA)
where:
Base-Base interactions energy: -1350.504
where: short stacking energy: -540.141
Base-Backbone interact. energy: -3.003
local terms energy: -540.672626
where:
bonds (distance) C4'-P energy: -109.290
bonds (distance) P-C4' energy: -106.873
flat angles C4'-P-C4' energy: -118.584
flat angles P-C4'-P energy: -69.456
tors. eta vs tors. theta energy: -136.470
Dist. restrs. and SS energy: 22.841 (S_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: 194
Temperature: 0.900000
Total energy: -2719.097651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2719.097651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2722.275225 (E_RNA)
where:
Base-Base interactions energy: -1904.585
where: short stacking energy: -804.766
Base-Backbone interact. energy: -3.324
local terms energy: -814.366369
where:
bonds (distance) C4'-P energy: -141.237
bonds (distance) P-C4' energy: -159.908
flat angles C4'-P-C4' energy: -166.442
flat angles P-C4'-P energy: -105.504
tors. eta vs tors. theta energy: -241.276
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: 2, replica: 5
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -2654.257203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2654.257203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2657.841433 (E_RNA)
where:
Base-Base interactions energy: -1856.586
where: short stacking energy: -769.608
Base-Backbone interact. energy: 0.486
local terms energy: -801.741763
where:
bonds (distance) C4'-P energy: -138.936
bonds (distance) P-C4' energy: -147.846
flat angles C4'-P-C4' energy: -164.860
flat angles P-C4'-P energy: -116.624
tors. eta vs tors. theta energy: -233.475
Dist. restrs. and SS energy: 3.584 (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: 10
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -2594.191430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2594.191430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2602.826592 (E_RNA)
where:
Base-Base interactions energy: -1842.410
where: short stacking energy: -745.673
Base-Backbone interact. energy: -3.995
local terms energy: -756.421336
where:
bonds (distance) C4'-P energy: -125.538
bonds (distance) P-C4' energy: -138.998
flat angles C4'-P-C4' energy: -159.760
flat angles P-C4'-P energy: -114.482
tors. eta vs tors. theta energy: -217.644
Dist. restrs. and SS energy: 8.635 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -2535.101142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2535.101142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2543.209510 (E_RNA)
where:
Base-Base interactions energy: -1810.748
where: short stacking energy: -738.594
Base-Backbone interact. energy: -2.230
local terms energy: -730.232316
where:
bonds (distance) C4'-P energy: -115.505
bonds (distance) P-C4' energy: -139.282
flat angles C4'-P-C4' energy: -154.500
flat angles P-C4'-P energy: -104.832
tors. eta vs tors. theta energy: -216.113
Dist. restrs. and SS energy: 8.108 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -2401.069598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2401.069598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2403.566764 (E_RNA)
where:
Base-Base interactions energy: -1701.367
where: short stacking energy: -723.200
Base-Backbone interact. energy: -2.198
local terms energy: -700.001633
where:
bonds (distance) C4'-P energy: -121.092
bonds (distance) P-C4' energy: -128.188
flat angles C4'-P-C4' energy: -147.768
flat angles P-C4'-P energy: -93.615
tors. eta vs tors. theta energy: -209.339
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: 6, replica: 7
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -2343.151281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2343.151281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2355.414026 (E_RNA)
where:
Base-Base interactions energy: -1685.382
where: short stacking energy: -697.433
Base-Backbone interact. energy: 1.668
local terms energy: -671.699649
where:
bonds (distance) C4'-P energy: -118.436
bonds (distance) P-C4' energy: -121.885
flat angles C4'-P-C4' energy: -139.515
flat angles P-C4'-P energy: -78.757
tors. eta vs tors. theta energy: -213.107
Dist. restrs. and SS energy: 12.263 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -2222.405567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2222.405567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2234.701196 (E_RNA)
where:
Base-Base interactions energy: -1548.605
where: short stacking energy: -643.019
Base-Backbone interact. energy: 1.948
local terms energy: -688.043816
where:
bonds (distance) C4'-P energy: -142.214
bonds (distance) P-C4' energy: -123.633
flat angles C4'-P-C4' energy: -145.795
flat angles P-C4'-P energy: -91.621
tors. eta vs tors. theta energy: -184.780
Dist. restrs. and SS energy: 12.296 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -2300.859440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2300.859440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2312.215627 (E_RNA)
where:
Base-Base interactions energy: -1582.821
where: short stacking energy: -668.762
Base-Backbone interact. energy: 3.872
local terms energy: -733.266100
where:
bonds (distance) C4'-P energy: -131.783
bonds (distance) P-C4' energy: -144.056
flat angles C4'-P-C4' energy: -151.868
flat angles P-C4'-P energy: -98.066
tors. eta vs tors. theta energy: -207.492
Dist. restrs. and SS energy: 11.356 (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: 9
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -2164.483980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2164.483980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2171.140298 (E_RNA)
where:
Base-Base interactions energy: -1543.736
where: short stacking energy: -651.494
Base-Backbone interact. energy: 2.377
local terms energy: -629.781483
where:
bonds (distance) C4'-P energy: -106.050
bonds (distance) P-C4' energy: -107.828
flat angles C4'-P-C4' energy: -136.012
flat angles P-C4'-P energy: -85.901
tors. eta vs tors. theta energy: -193.991
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: 10, replica: 1
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -1880.754990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.754990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.720141 (E_RNA)
where:
Base-Base interactions energy: -1332.761
where: short stacking energy: -547.221
Base-Backbone interact. energy: 1.807
local terms energy: -577.766004
where:
bonds (distance) C4'-P energy: -125.349
bonds (distance) P-C4' energy: -111.552
flat angles C4'-P-C4' energy: -121.129
flat angles P-C4'-P energy: -73.011
tors. eta vs tors. theta energy: -146.724
Dist. restrs. and SS energy: 27.965 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -2745.254626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2745.254626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2748.156793 (E_RNA)
where:
Base-Base interactions energy: -1927.446
where: short stacking energy: -809.753
Base-Backbone interact. energy: -2.845
local terms energy: -817.865709
where:
bonds (distance) C4'-P energy: -137.633
bonds (distance) P-C4' energy: -155.491
flat angles C4'-P-C4' energy: -162.424
flat angles P-C4'-P energy: -120.213
tors. eta vs tors. theta energy: -242.104
Dist. restrs. and SS energy: 2.902 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -2654.474129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2654.474129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2662.707736 (E_RNA)
where:
Base-Base interactions energy: -1864.589
where: short stacking energy: -798.755
Base-Backbone interact. energy: -2.880
local terms energy: -795.238984
where:
bonds (distance) C4'-P energy: -136.017
bonds (distance) P-C4' energy: -143.511
flat angles C4'-P-C4' energy: -166.649
flat angles P-C4'-P energy: -107.567
tors. eta vs tors. theta energy: -241.495
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: 3, replica: 10
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -2575.321650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2575.321650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2581.875826 (E_RNA)
where:
Base-Base interactions energy: -1782.228
where: short stacking energy: -769.392
Base-Backbone interact. energy: -4.591
local terms energy: -795.056925
where:
bonds (distance) C4'-P energy: -144.117
bonds (distance) P-C4' energy: -143.193
flat angles C4'-P-C4' energy: -167.599
flat angles P-C4'-P energy: -115.074
tors. eta vs tors. theta energy: -225.074
Dist. restrs. and SS energy: 6.554 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -2514.693570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2514.693570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2525.008589 (E_RNA)
where:
Base-Base interactions energy: -1811.713
where: short stacking energy: -768.583
Base-Backbone interact. energy: -3.838
local terms energy: -709.456953
where:
bonds (distance) C4'-P energy: -107.667
bonds (distance) P-C4' energy: -123.566
flat angles C4'-P-C4' energy: -159.598
flat angles P-C4'-P energy: -95.796
tors. eta vs tors. theta energy: -222.831
Dist. restrs. and SS energy: 10.315 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -2401.430965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2401.430965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2406.658798 (E_RNA)
where:
Base-Base interactions energy: -1700.104
where: short stacking energy: -697.817
Base-Backbone interact. energy: -3.628
local terms energy: -702.927215
where:
bonds (distance) C4'-P energy: -134.628
bonds (distance) P-C4' energy: -119.864
flat angles C4'-P-C4' energy: -157.999
flat angles P-C4'-P energy: -91.974
tors. eta vs tors. theta energy: -198.461
Dist. restrs. and SS energy: 5.228 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -2328.378082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2328.378082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2335.656654 (E_RNA)
where:
Base-Base interactions energy: -1635.742
where: short stacking energy: -685.149
Base-Backbone interact. energy: 5.283
local terms energy: -705.196906
where:
bonds (distance) C4'-P energy: -128.215
bonds (distance) P-C4' energy: -114.283
flat angles C4'-P-C4' energy: -143.844
flat angles P-C4'-P energy: -100.846
tors. eta vs tors. theta energy: -218.009
Dist. restrs. and SS energy: 7.279 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -2205.723021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2205.723021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2216.827389 (E_RNA)
where:
Base-Base interactions energy: -1560.100
where: short stacking energy: -628.122
Base-Backbone interact. energy: -0.785
local terms energy: -655.942495
where:
bonds (distance) C4'-P energy: -103.082
bonds (distance) P-C4' energy: -127.231
flat angles C4'-P-C4' energy: -149.542
flat angles P-C4'-P energy: -95.229
tors. eta vs tors. theta energy: -180.859
Dist. restrs. and SS energy: 11.104 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -2233.464826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2233.464826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2243.991996 (E_RNA)
where:
Base-Base interactions energy: -1595.957
where: short stacking energy: -673.248
Base-Backbone interact. energy: 1.119
local terms energy: -649.153635
where:
bonds (distance) C4'-P energy: -104.951
bonds (distance) P-C4' energy: -118.867
flat angles C4'-P-C4' energy: -147.646
flat angles P-C4'-P energy: -75.864
tors. eta vs tors. theta energy: -201.825
Dist. restrs. and SS energy: 10.527 (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: 9
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -2079.334144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2079.334144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2096.540387 (E_RNA)
where:
Base-Base interactions energy: -1516.151
where: short stacking energy: -601.128
Base-Backbone interact. energy: -3.794
local terms energy: -576.595624
where:
bonds (distance) C4'-P energy: -90.318
bonds (distance) P-C4' energy: -124.082
flat angles C4'-P-C4' energy: -132.405
flat angles P-C4'-P energy: -68.909
tors. eta vs tors. theta energy: -160.881
Dist. restrs. and SS energy: 17.206 (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: 1
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -1900.454966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1900.454966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.938764 (E_RNA)
where:
Base-Base interactions energy: -1318.896
where: short stacking energy: -535.770
Base-Backbone interact. energy: -1.538
local terms energy: -603.504914
where:
bonds (distance) C4'-P energy: -114.167
bonds (distance) P-C4' energy: -129.975
flat angles C4'-P-C4' energy: -129.942
flat angles P-C4'-P energy: -81.287
tors. eta vs tors. theta energy: -148.133
Dist. restrs. and SS energy: 23.484 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -2754.140533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2754.140533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2757.541162 (E_RNA)
where:
Base-Base interactions energy: -1940.181
where: short stacking energy: -846.970
Base-Backbone interact. energy: -0.816
local terms energy: -816.544007
where:
bonds (distance) C4'-P energy: -144.755
bonds (distance) P-C4' energy: -143.286
flat angles C4'-P-C4' energy: -168.697
flat angles P-C4'-P energy: -110.308
tors. eta vs tors. theta energy: -249.498
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: 5
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -2637.874785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2637.874785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2644.630937 (E_RNA)
where:
Base-Base interactions energy: -1829.981
where: short stacking energy: -781.549
Base-Backbone interact. energy: -2.714
local terms energy: -811.936155
where:
bonds (distance) C4'-P energy: -145.980
bonds (distance) P-C4' energy: -151.856
flat angles C4'-P-C4' energy: -174.200
flat angles P-C4'-P energy: -102.284
tors. eta vs tors. theta energy: -237.616
Dist. restrs. and SS energy: 6.756 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -2578.445886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2578.445886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2585.320004 (E_RNA)
where:
Base-Base interactions energy: -1814.698
where: short stacking energy: -751.260
Base-Backbone interact. energy: -3.080
local terms energy: -767.542564
where:
bonds (distance) C4'-P energy: -129.015
bonds (distance) P-C4' energy: -133.236
flat angles C4'-P-C4' energy: -167.760
flat angles P-C4'-P energy: -116.943
tors. eta vs tors. theta energy: -220.589
Dist. restrs. and SS energy: 6.874 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -2500.213450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2500.213450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2507.280189 (E_RNA)
where:
Base-Base interactions energy: -1753.667
where: short stacking energy: -732.006
Base-Backbone interact. energy: -2.455
local terms energy: -751.158575
where:
bonds (distance) C4'-P energy: -122.057
bonds (distance) P-C4' energy: -129.848
flat angles C4'-P-C4' energy: -171.347
flat angles P-C4'-P energy: -109.051
tors. eta vs tors. theta energy: -218.856
Dist. restrs. and SS energy: 7.067 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -2416.906107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2416.906107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2420.961149 (E_RNA)
where:
Base-Base interactions energy: -1689.290
where: short stacking energy: -717.905
Base-Backbone interact. energy: -4.216
local terms energy: -727.455005
where:
bonds (distance) C4'-P energy: -149.476
bonds (distance) P-C4' energy: -130.657
flat angles C4'-P-C4' energy: -143.799
flat angles P-C4'-P energy: -95.307
tors. eta vs tors. theta energy: -208.216
Dist. restrs. and SS energy: 4.055 (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: 7
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -2329.763996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2329.763996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2339.272167 (E_RNA)
where:
Base-Base interactions energy: -1674.551
where: short stacking energy: -691.409
Base-Backbone interact. energy: -1.101
local terms energy: -663.620190
where:
bonds (distance) C4'-P energy: -116.406
bonds (distance) P-C4' energy: -106.947
flat angles C4'-P-C4' energy: -142.233
flat angles P-C4'-P energy: -92.627
tors. eta vs tors. theta energy: -205.408
Dist. restrs. and SS energy: 9.508 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -2355.302183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2355.302183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2371.743015 (E_RNA)
where:
Base-Base interactions energy: -1679.383
where: short stacking energy: -701.559
Base-Backbone interact. energy: -1.360
local terms energy: -691.000437
where:
bonds (distance) C4'-P energy: -121.784
bonds (distance) P-C4' energy: -127.470
flat angles C4'-P-C4' energy: -136.021
flat angles P-C4'-P energy: -96.066
tors. eta vs tors. theta energy: -209.658
Dist. restrs. and SS energy: 16.441 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -2198.171163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2198.171163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2213.484501 (E_RNA)
where:
Base-Base interactions energy: -1604.158
where: short stacking energy: -687.792
Base-Backbone interact. energy: -2.158
local terms energy: -607.168822
where:
bonds (distance) C4'-P energy: -101.951
bonds (distance) P-C4' energy: -116.723
flat angles C4'-P-C4' energy: -117.464
flat angles P-C4'-P energy: -76.956
tors. eta vs tors. theta energy: -194.075
Dist. restrs. and SS energy: 15.313 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -2061.002648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2061.002648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2072.998531 (E_RNA)
where:
Base-Base interactions energy: -1446.488
where: short stacking energy: -614.061
Base-Backbone interact. energy: -2.001
local terms energy: -624.510345
where:
bonds (distance) C4'-P energy: -110.606
bonds (distance) P-C4' energy: -118.514
flat angles C4'-P-C4' energy: -146.587
flat angles P-C4'-P energy: -81.217
tors. eta vs tors. theta energy: -167.587
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: 10, replica: 1
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -1916.565999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.565999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1940.027783 (E_RNA)
where:
Base-Base interactions energy: -1391.128
where: short stacking energy: -561.263
Base-Backbone interact. energy: 4.074
local terms energy: -552.973410
where:
bonds (distance) C4'-P energy: -86.506
bonds (distance) P-C4' energy: -106.521
flat angles C4'-P-C4' energy: -118.471
flat angles P-C4'-P energy: -85.237
tors. eta vs tors. theta energy: -156.239
Dist. restrs. and SS energy: 23.462 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -2735.637307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2735.637307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2740.174927 (E_RNA)
where:
Base-Base interactions energy: -1917.844
where: short stacking energy: -816.406
Base-Backbone interact. energy: -2.506
local terms energy: -819.825176
where:
bonds (distance) C4'-P energy: -152.190
bonds (distance) P-C4' energy: -143.100
flat angles C4'-P-C4' energy: -176.058
flat angles P-C4'-P energy: -108.670
tors. eta vs tors. theta energy: -239.808
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: 2, replica: 5
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -2650.780293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2650.780293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2655.370387 (E_RNA)
where:
Base-Base interactions energy: -1833.118
where: short stacking energy: -776.741
Base-Backbone interact. energy: -1.327
local terms energy: -820.925313
where:
bonds (distance) C4'-P energy: -151.961
bonds (distance) P-C4' energy: -144.383
flat angles C4'-P-C4' energy: -171.113
flat angles P-C4'-P energy: -107.490
tors. eta vs tors. theta energy: -245.978
Dist. restrs. and SS energy: 4.590 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -2569.289756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2569.289756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2575.669739 (E_RNA)
where:
Base-Base interactions energy: -1794.342
where: short stacking energy: -745.483
Base-Backbone interact. energy: -5.214
local terms energy: -776.113754
where:
bonds (distance) C4'-P energy: -146.194
bonds (distance) P-C4' energy: -131.075
flat angles C4'-P-C4' energy: -165.032
flat angles P-C4'-P energy: -117.498
tors. eta vs tors. theta energy: -216.316
Dist. restrs. and SS energy: 6.380 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -2486.399707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2486.399707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2492.464792 (E_RNA)
where:
Base-Base interactions energy: -1730.078
where: short stacking energy: -736.258
Base-Backbone interact. energy: -2.912
local terms energy: -759.475177
where:
bonds (distance) C4'-P energy: -130.609
bonds (distance) P-C4' energy: -123.507
flat angles C4'-P-C4' energy: -163.267
flat angles P-C4'-P energy: -116.349
tors. eta vs tors. theta energy: -225.744
Dist. restrs. and SS energy: 6.065 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -2403.592240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2403.592240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2405.453979 (E_RNA)
where:
Base-Base interactions energy: -1694.673
where: short stacking energy: -713.253
Base-Backbone interact. energy: -3.208
local terms energy: -707.573098
where:
bonds (distance) C4'-P energy: -118.098
bonds (distance) P-C4' energy: -113.867
flat angles C4'-P-C4' energy: -161.949
flat angles P-C4'-P energy: -103.945
tors. eta vs tors. theta energy: -209.714
Dist. restrs. and SS energy: 1.862 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -2292.279908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2292.279908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2299.082169 (E_RNA)
where:
Base-Base interactions energy: -1602.663
where: short stacking energy: -662.048
Base-Backbone interact. energy: -1.135
local terms energy: -695.284338
where:
bonds (distance) C4'-P energy: -121.482
bonds (distance) P-C4' energy: -126.824
flat angles C4'-P-C4' energy: -145.635
flat angles P-C4'-P energy: -99.661
tors. eta vs tors. theta energy: -201.682
Dist. restrs. and SS energy: 6.802 (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: 4
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -2263.632892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2263.632892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2277.874418 (E_RNA)
where:
Base-Base interactions energy: -1583.930
where: short stacking energy: -671.168
Base-Backbone interact. energy: -1.373
local terms energy: -692.571704
where:
bonds (distance) C4'-P energy: -116.823
bonds (distance) P-C4' energy: -128.556
flat angles C4'-P-C4' energy: -149.776
flat angles P-C4'-P energy: -88.454
tors. eta vs tors. theta energy: -208.962
Dist. restrs. and SS energy: 14.242 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -2113.166734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2113.166734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2129.672979 (E_RNA)
where:
Base-Base interactions energy: -1497.778
where: short stacking energy: -619.755
Base-Backbone interact. energy: -2.778
local terms energy: -629.116759
where:
bonds (distance) C4'-P energy: -124.710
bonds (distance) P-C4' energy: -119.098
flat angles C4'-P-C4' energy: -130.460
flat angles P-C4'-P energy: -89.630
tors. eta vs tors. theta energy: -165.219
Dist. restrs. and SS energy: 16.506 (S_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: 197
Temperature: 1.300000
Total energy: -2046.651074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2046.651074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2055.570787 (E_RNA)
where:
Base-Base interactions energy: -1472.167
where: short stacking energy: -589.360
Base-Backbone interact. energy: 0.748
local terms energy: -584.152249
where:
bonds (distance) C4'-P energy: -108.370
bonds (distance) P-C4' energy: -91.298
flat angles C4'-P-C4' energy: -136.839
flat angles P-C4'-P energy: -79.414
tors. eta vs tors. theta energy: -168.231
Dist. restrs. and SS energy: 8.920 (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: 1
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -1922.727200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.727200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.503397 (E_RNA)
where:
Base-Base interactions energy: -1369.977
where: short stacking energy: -549.791
Base-Backbone interact. energy: -5.993
local terms energy: -567.533471
where:
bonds (distance) C4'-P energy: -110.006
bonds (distance) P-C4' energy: -118.008
flat angles C4'-P-C4' energy: -118.043
flat angles P-C4'-P energy: -72.967
tors. eta vs tors. theta energy: -148.510
Dist. restrs. and SS energy: 20.776 (S_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: 198
Temperature: 0.900000
Total energy: -2733.696895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2733.696895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2737.751744 (E_RNA)
where:
Base-Base interactions energy: -1930.704
where: short stacking energy: -829.108
Base-Backbone interact. energy: -2.280
local terms energy: -804.767015
where:
bonds (distance) C4'-P energy: -135.380
bonds (distance) P-C4' energy: -138.961
flat angles C4'-P-C4' energy: -169.441
flat angles P-C4'-P energy: -117.308
tors. eta vs tors. theta energy: -243.678
Dist. restrs. and SS energy: 4.055 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -2627.416830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2627.416830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2632.348501 (E_RNA)
where:
Base-Base interactions energy: -1828.779
where: short stacking energy: -765.248
Base-Backbone interact. energy: -2.267
local terms energy: -801.302953
where:
bonds (distance) C4'-P energy: -147.743
bonds (distance) P-C4' energy: -147.805
flat angles C4'-P-C4' energy: -174.620
flat angles P-C4'-P energy: -103.164
tors. eta vs tors. theta energy: -227.972
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: 3, replica: 10
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -2594.494683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2594.494683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2600.314153 (E_RNA)
where:
Base-Base interactions energy: -1841.877
where: short stacking energy: -795.199
Base-Backbone interact. energy: -3.452
local terms energy: -754.984987
where:
bonds (distance) C4'-P energy: -113.479
bonds (distance) P-C4' energy: -128.355
flat angles C4'-P-C4' energy: -167.836
flat angles P-C4'-P energy: -108.094
tors. eta vs tors. theta energy: -237.222
Dist. restrs. and SS energy: 5.819 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -2539.454863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2539.454863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2548.240674 (E_RNA)
where:
Base-Base interactions energy: -1765.553
where: short stacking energy: -773.703
Base-Backbone interact. energy: -4.572
local terms energy: -778.116164
where:
bonds (distance) C4'-P energy: -137.274
bonds (distance) P-C4' energy: -132.677
flat angles C4'-P-C4' energy: -156.408
flat angles P-C4'-P energy: -113.022
tors. eta vs tors. theta energy: -238.735
Dist. restrs. and SS energy: 8.786 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -2398.260479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2398.260479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2401.293352 (E_RNA)
where:
Base-Base interactions energy: -1684.167
where: short stacking energy: -722.637
Base-Backbone interact. energy: -1.475
local terms energy: -715.651579
where:
bonds (distance) C4'-P energy: -106.342
bonds (distance) P-C4' energy: -144.222
flat angles C4'-P-C4' energy: -148.325
flat angles P-C4'-P energy: -111.372
tors. eta vs tors. theta energy: -205.390
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: 6, replica: 7
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -2345.891213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2345.891213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2354.930920 (E_RNA)
where:
Base-Base interactions energy: -1667.633
where: short stacking energy: -709.050
Base-Backbone interact. energy: -0.554
local terms energy: -686.743972
where:
bonds (distance) C4'-P energy: -126.336
bonds (distance) P-C4' energy: -114.117
flat angles C4'-P-C4' energy: -156.019
flat angles P-C4'-P energy: -83.946
tors. eta vs tors. theta energy: -206.326
Dist. restrs. and SS energy: 9.040 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -2315.433442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2315.433442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2324.230776 (E_RNA)
where:
Base-Base interactions energy: -1645.120
where: short stacking energy: -681.065
Base-Backbone interact. energy: -4.159
local terms energy: -674.951540
where:
bonds (distance) C4'-P energy: -99.156
bonds (distance) P-C4' energy: -136.414
flat angles C4'-P-C4' energy: -139.618
flat angles P-C4'-P energy: -93.248
tors. eta vs tors. theta energy: -206.516
Dist. restrs. and SS energy: 8.797 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -2116.923355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2116.923355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2137.932263 (E_RNA)
where:
Base-Base interactions energy: -1509.173
where: short stacking energy: -638.621
Base-Backbone interact. energy: 1.042
local terms energy: -629.801236
where:
bonds (distance) C4'-P energy: -103.708
bonds (distance) P-C4' energy: -133.839
flat angles C4'-P-C4' energy: -115.225
flat angles P-C4'-P energy: -95.157
tors. eta vs tors. theta energy: -181.873
Dist. restrs. and SS energy: 21.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -2060.120101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2060.120101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2075.373565 (E_RNA)
where:
Base-Base interactions energy: -1463.976
where: short stacking energy: -592.478
Base-Backbone interact. energy: 1.637
local terms energy: -613.034461
where:
bonds (distance) C4'-P energy: -108.578
bonds (distance) P-C4' energy: -117.437
flat angles C4'-P-C4' energy: -120.106
flat angles P-C4'-P energy: -98.619
tors. eta vs tors. theta energy: -168.294
Dist. restrs. and SS energy: 15.253 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -1926.274752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.274752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.423618 (E_RNA)
where:
Base-Base interactions energy: -1382.098
where: short stacking energy: -599.390
Base-Backbone interact. energy: -0.173
local terms energy: -570.152446
where:
bonds (distance) C4'-P energy: -93.567
bonds (distance) P-C4' energy: -113.061
flat angles C4'-P-C4' energy: -123.467
flat angles P-C4'-P energy: -77.796
tors. eta vs tors. theta energy: -162.262
Dist. restrs. and SS energy: 26.149 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -2707.115989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2707.115989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2710.765240 (E_RNA)
where:
Base-Base interactions energy: -1906.803
where: short stacking energy: -814.296
Base-Backbone interact. energy: -2.923
local terms energy: -801.038880
where:
bonds (distance) C4'-P energy: -137.523
bonds (distance) P-C4' energy: -152.440
flat angles C4'-P-C4' energy: -169.014
flat angles P-C4'-P energy: -101.394
tors. eta vs tors. theta energy: -240.667
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: 2, replica: 5
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -2630.744752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2630.744752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2635.232806 (E_RNA)
where:
Base-Base interactions energy: -1835.250
where: short stacking energy: -785.754
Base-Backbone interact. energy: -1.144
local terms energy: -798.838656
where:
bonds (distance) C4'-P energy: -132.481
bonds (distance) P-C4' energy: -143.011
flat angles C4'-P-C4' energy: -166.386
flat angles P-C4'-P energy: -123.994
tors. eta vs tors. theta energy: -232.966
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: 3, replica: 10
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -2569.652177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2569.652177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2574.236370 (E_RNA)
where:
Base-Base interactions energy: -1805.944
where: short stacking energy: -753.486
Base-Backbone interact. energy: -3.189
local terms energy: -765.103554
where:
bonds (distance) C4'-P energy: -131.575
bonds (distance) P-C4' energy: -138.729
flat angles C4'-P-C4' energy: -170.692
flat angles P-C4'-P energy: -104.744
tors. eta vs tors. theta energy: -219.364
Dist. restrs. and SS energy: 4.584 (S_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: 199
Temperature: 1.050000
Total energy: -2533.001247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2533.001247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2543.169492 (E_RNA)
where:
Base-Base interactions energy: -1803.486
where: short stacking energy: -763.624
Base-Backbone interact. energy: -2.114
local terms energy: -737.570202
where:
bonds (distance) C4'-P energy: -136.521
bonds (distance) P-C4' energy: -118.824
flat angles C4'-P-C4' energy: -153.183
flat angles P-C4'-P energy: -94.982
tors. eta vs tors. theta energy: -234.061
Dist. restrs. and SS energy: 10.168 (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: 2
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -2417.904879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2417.904879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2424.273481 (E_RNA)
where:
Base-Base interactions energy: -1715.825
where: short stacking energy: -745.655
Base-Backbone interact. energy: -2.509
local terms energy: -705.939301
where:
bonds (distance) C4'-P energy: -131.431
bonds (distance) P-C4' energy: -113.697
flat angles C4'-P-C4' energy: -148.645
flat angles P-C4'-P energy: -104.311
tors. eta vs tors. theta energy: -207.855
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: 6, replica: 7
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -2296.534485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2296.534485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2305.084058 (E_RNA)
where:
Base-Base interactions energy: -1633.686
where: short stacking energy: -704.470
Base-Backbone interact. energy: -4.830
local terms energy: -666.567934
where:
bonds (distance) C4'-P energy: -106.911
bonds (distance) P-C4' energy: -121.093
flat angles C4'-P-C4' energy: -143.208
flat angles P-C4'-P energy: -95.189
tors. eta vs tors. theta energy: -200.167
Dist. restrs. and SS energy: 8.550 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -2253.167286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2253.167286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2271.439913 (E_RNA)
where:
Base-Base interactions energy: -1600.175
where: short stacking energy: -671.172
Base-Backbone interact. energy: -1.377
local terms energy: -669.887606
where:
bonds (distance) C4'-P energy: -116.326
bonds (distance) P-C4' energy: -116.050
flat angles C4'-P-C4' energy: -149.587
flat angles P-C4'-P energy: -95.628
tors. eta vs tors. theta energy: -192.296
Dist. restrs. and SS energy: 18.273 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -2112.825224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2112.825224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2130.298498 (E_RNA)
where:
Base-Base interactions energy: -1494.155
where: short stacking energy: -620.797
Base-Backbone interact. energy: -1.160
local terms energy: -634.983630
where:
bonds (distance) C4'-P energy: -104.681
bonds (distance) P-C4' energy: -133.400
flat angles C4'-P-C4' energy: -143.830
flat angles P-C4'-P energy: -72.970
tors. eta vs tors. theta energy: -180.103
Dist. restrs. and SS energy: 17.473 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -2089.405567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2089.405567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2103.057687 (E_RNA)
where:
Base-Base interactions energy: -1485.353
where: short stacking energy: -582.220
Base-Backbone interact. energy: 1.446
local terms energy: -619.149972
where:
bonds (distance) C4'-P energy: -113.791
bonds (distance) P-C4' energy: -109.809
flat angles C4'-P-C4' energy: -147.302
flat angles P-C4'-P energy: -87.147
tors. eta vs tors. theta energy: -161.100
Dist. restrs. and SS energy: 13.652 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -1974.456030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.456030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1994.625794 (E_RNA)
where:
Base-Base interactions energy: -1401.632
where: short stacking energy: -564.123
Base-Backbone interact. energy: -0.955
local terms energy: -592.038767
where:
bonds (distance) C4'-P energy: -120.766
bonds (distance) P-C4' energy: -105.553
flat angles C4'-P-C4' energy: -130.371
flat angles P-C4'-P energy: -86.243
tors. eta vs tors. theta energy: -149.106
Dist. restrs. and SS energy: 20.170 (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: 8
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -2728.460768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2728.460768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2731.118722 (E_RNA)
where:
Base-Base interactions energy: -1916.640
where: short stacking energy: -836.216
Base-Backbone interact. energy: -2.163
local terms energy: -812.315080
where:
bonds (distance) C4'-P energy: -137.190
bonds (distance) P-C4' energy: -145.262
flat angles C4'-P-C4' energy: -171.215
flat angles P-C4'-P energy: -111.606
tors. eta vs tors. theta energy: -247.041
Dist. restrs. and SS energy: 2.658 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -2640.880922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2640.880922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2646.879441 (E_RNA)
where:
Base-Base interactions energy: -1838.795
where: short stacking energy: -793.533
Base-Backbone interact. energy: -2.720
local terms energy: -805.364211
where:
bonds (distance) C4'-P energy: -151.625
bonds (distance) P-C4' energy: -136.318
flat angles C4'-P-C4' energy: -170.103
flat angles P-C4'-P energy: -118.630
tors. eta vs tors. theta energy: -228.688
Dist. restrs. and SS energy: 5.999 (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: 3
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -2609.614827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2609.614827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2615.461263 (E_RNA)
where:
Base-Base interactions energy: -1861.258
where: short stacking energy: -764.946
Base-Backbone interact. energy: 0.569
local terms energy: -754.772220
where:
bonds (distance) C4'-P energy: -137.035
bonds (distance) P-C4' energy: -127.212
flat angles C4'-P-C4' energy: -153.773
flat angles P-C4'-P energy: -114.994
tors. eta vs tors. theta energy: -221.759
Dist. restrs. and SS energy: 5.846 (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: 10
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -2553.853174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2553.853174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2559.132446 (E_RNA)
where:
Base-Base interactions energy: -1799.782
where: short stacking energy: -777.097
Base-Backbone interact. energy: -1.946
local terms energy: -757.404910
where:
bonds (distance) C4'-P energy: -129.922
bonds (distance) P-C4' energy: -137.206
flat angles C4'-P-C4' energy: -161.206
flat angles P-C4'-P energy: -104.717
tors. eta vs tors. theta energy: -224.353
Dist. restrs. and SS energy: 5.279 (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: 2
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -2399.483499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2399.483499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2403.541090 (E_RNA)
where:
Base-Base interactions energy: -1704.825
where: short stacking energy: -700.306
Base-Backbone interact. energy: 1.707
local terms energy: -700.422709
where:
bonds (distance) C4'-P energy: -109.468
bonds (distance) P-C4' energy: -124.543
flat angles C4'-P-C4' energy: -150.860
flat angles P-C4'-P energy: -109.117
tors. eta vs tors. theta energy: -206.434
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: 6, replica: 7
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -2345.164767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2345.164767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2355.637671 (E_RNA)
where:
Base-Base interactions energy: -1640.343
where: short stacking energy: -693.878
Base-Backbone interact. energy: 0.196
local terms energy: -715.491181
where:
bonds (distance) C4'-P energy: -131.892
bonds (distance) P-C4' energy: -129.157
flat angles C4'-P-C4' energy: -148.480
flat angles P-C4'-P energy: -85.272
tors. eta vs tors. theta energy: -220.689
Dist. restrs. and SS energy: 10.473 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -2243.117569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2243.117569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2259.201236 (E_RNA)
where:
Base-Base interactions energy: -1596.352
where: short stacking energy: -687.554
Base-Backbone interact. energy: -0.116
local terms energy: -662.733291
where:
bonds (distance) C4'-P energy: -100.182
bonds (distance) P-C4' energy: -111.959
flat angles C4'-P-C4' energy: -157.238
flat angles P-C4'-P energy: -93.776
tors. eta vs tors. theta energy: -199.579
Dist. restrs. and SS energy: 16.084 (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: 6
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -2107.484198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2107.484198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2124.051942 (E_RNA)
where:
Base-Base interactions energy: -1498.763
where: short stacking energy: -607.844
Base-Backbone interact. energy: -1.351
local terms energy: -623.938364
where:
bonds (distance) C4'-P energy: -113.809
bonds (distance) P-C4' energy: -102.639
flat angles C4'-P-C4' energy: -130.551
flat angles P-C4'-P energy: -87.920
tors. eta vs tors. theta energy: -189.019
Dist. restrs. and SS energy: 16.568 (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: 9
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -2112.109072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2112.109072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2120.579352 (E_RNA)
where:
Base-Base interactions energy: -1516.874
where: short stacking energy: -604.225
Base-Backbone interact. energy: -0.608
local terms energy: -603.097325
where:
bonds (distance) C4'-P energy: -122.448
bonds (distance) P-C4' energy: -112.765
flat angles C4'-P-C4' energy: -131.287
flat angles P-C4'-P energy: -69.021
tors. eta vs tors. theta energy: -167.576
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: 10, replica: 1
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -1942.517673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.517673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.534963 (E_RNA)
where:
Base-Base interactions energy: -1375.900
where: short stacking energy: -585.920
Base-Backbone interact. energy: -0.558
local terms energy: -582.076659
where:
bonds (distance) C4'-P energy: -110.699
bonds (distance) P-C4' energy: -110.625
flat angles C4'-P-C4' energy: -128.532
flat angles P-C4'-P energy: -71.339
tors. eta vs tors. theta energy: -160.882
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: 1, replica: 8
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -2745.312564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2745.312564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2747.740644 (E_RNA)
where:
Base-Base interactions energy: -1933.976
where: short stacking energy: -819.039
Base-Backbone interact. energy: -3.059
local terms energy: -810.705919
where:
bonds (distance) C4'-P energy: -140.018
bonds (distance) P-C4' energy: -156.315
flat angles C4'-P-C4' energy: -160.521
flat angles P-C4'-P energy: -121.893
tors. eta vs tors. theta energy: -231.960
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: 2, replica: 3
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -2654.213281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2654.213281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2661.009884 (E_RNA)
where:
Base-Base interactions energy: -1894.514
where: short stacking energy: -777.226
Base-Backbone interact. energy: -1.253
local terms energy: -765.242326
where:
bonds (distance) C4'-P energy: -130.055
bonds (distance) P-C4' energy: -129.111
flat angles C4'-P-C4' energy: -163.956
flat angles P-C4'-P energy: -97.816
tors. eta vs tors. theta energy: -244.304
Dist. restrs. and SS energy: 6.797 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -2597.429548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2597.429548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2603.955122 (E_RNA)
where:
Base-Base interactions energy: -1811.701
where: short stacking energy: -781.074
Base-Backbone interact. energy: -3.259
local terms energy: -788.995652
where:
bonds (distance) C4'-P energy: -130.842
bonds (distance) P-C4' energy: -142.975
flat angles C4'-P-C4' energy: -177.285
flat angles P-C4'-P energy: -101.757
tors. eta vs tors. theta energy: -236.137
Dist. restrs. and SS energy: 6.526 (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: 201
Temperature: 1.050000
Total energy: -2463.841232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2463.841232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2466.854852 (E_RNA)
where:
Base-Base interactions energy: -1724.192
where: short stacking energy: -729.347
Base-Backbone interact. energy: -1.647
local terms energy: -741.016148
where:
bonds (distance) C4'-P energy: -139.806
bonds (distance) P-C4' energy: -122.595
flat angles C4'-P-C4' energy: -162.208
flat angles P-C4'-P energy: -99.352
tors. eta vs tors. theta energy: -217.054
Dist. restrs. and SS energy: 3.014 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -2462.187581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2462.187581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2468.739528 (E_RNA)
where:
Base-Base interactions energy: -1714.670
where: short stacking energy: -720.884
Base-Backbone interact. energy: -3.423
local terms energy: -750.646934
where:
bonds (distance) C4'-P energy: -150.369
bonds (distance) P-C4' energy: -121.754
flat angles C4'-P-C4' energy: -158.582
flat angles P-C4'-P energy: -95.630
tors. eta vs tors. theta energy: -224.313
Dist. restrs. and SS energy: 6.552 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -2308.995484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2308.995484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2321.871318 (E_RNA)
where:
Base-Base interactions energy: -1620.745
where: short stacking energy: -691.078
Base-Backbone interact. energy: -2.320
local terms energy: -698.806097
where:
bonds (distance) C4'-P energy: -122.443
bonds (distance) P-C4' energy: -132.754
flat angles C4'-P-C4' energy: -146.114
flat angles P-C4'-P energy: -91.834
tors. eta vs tors. theta energy: -205.661
Dist. restrs. and SS energy: 12.876 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -2285.101068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2285.101068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2295.509988 (E_RNA)
where:
Base-Base interactions energy: -1616.984
where: short stacking energy: -674.372
Base-Backbone interact. energy: -4.536
local terms energy: -673.989840
where:
bonds (distance) C4'-P energy: -120.148
bonds (distance) P-C4' energy: -104.827
flat angles C4'-P-C4' energy: -151.237
flat angles P-C4'-P energy: -102.099
tors. eta vs tors. theta energy: -195.678
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: 9
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -2131.456123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2131.456123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2143.949841 (E_RNA)
where:
Base-Base interactions energy: -1517.616
where: short stacking energy: -602.809
Base-Backbone interact. energy: -1.802
local terms energy: -624.531253
where:
bonds (distance) C4'-P energy: -126.260
bonds (distance) P-C4' energy: -95.680
flat angles C4'-P-C4' energy: -138.638
flat angles P-C4'-P energy: -98.913
tors. eta vs tors. theta energy: -165.040
Dist. restrs. and SS energy: 12.494 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -2084.435749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2084.435749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.229352 (E_RNA)
where:
Base-Base interactions energy: -1479.235
where: short stacking energy: -626.007
Base-Backbone interact. energy: 2.055
local terms energy: -616.049143
where:
bonds (distance) C4'-P energy: -98.892
bonds (distance) P-C4' energy: -131.776
flat angles C4'-P-C4' energy: -133.505
flat angles P-C4'-P energy: -73.510
tors. eta vs tors. theta energy: -178.366
Dist. restrs. and SS energy: 8.794 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -1892.924583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.924583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1913.578812 (E_RNA)
where:
Base-Base interactions energy: -1365.018
where: short stacking energy: -553.571
Base-Backbone interact. energy: 1.320
local terms energy: -549.880869
where:
bonds (distance) C4'-P energy: -83.499
bonds (distance) P-C4' energy: -106.275
flat angles C4'-P-C4' energy: -124.688
flat angles P-C4'-P energy: -80.529
tors. eta vs tors. theta energy: -154.890
Dist. restrs. and SS energy: 20.654 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -2735.143181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2735.143181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2738.101750 (E_RNA)
where:
Base-Base interactions energy: -1916.564
where: short stacking energy: -838.468
Base-Backbone interact. energy: -4.074
local terms energy: -817.463711
where:
bonds (distance) C4'-P energy: -136.600
bonds (distance) P-C4' energy: -145.595
flat angles C4'-P-C4' energy: -178.026
flat angles P-C4'-P energy: -120.686
tors. eta vs tors. theta energy: -236.556
Dist. restrs. and SS energy: 2.959 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -2687.127197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2687.127197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2695.410485 (E_RNA)
where:
Base-Base interactions energy: -1884.634
where: short stacking energy: -786.753
Base-Backbone interact. energy: 0.293
local terms energy: -811.069285
where:
bonds (distance) C4'-P energy: -143.537
bonds (distance) P-C4' energy: -126.007
flat angles C4'-P-C4' energy: -173.037
flat angles P-C4'-P energy: -122.931
tors. eta vs tors. theta energy: -245.557
Dist. restrs. and SS energy: 8.283 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -2593.704713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2593.704713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2602.974442 (E_RNA)
where:
Base-Base interactions energy: -1822.591
where: short stacking energy: -772.787
Base-Backbone interact. energy: -5.585
local terms energy: -774.798809
where:
bonds (distance) C4'-P energy: -123.087
bonds (distance) P-C4' energy: -138.554
flat angles C4'-P-C4' energy: -168.424
flat angles P-C4'-P energy: -104.392
tors. eta vs tors. theta energy: -240.341
Dist. restrs. and SS energy: 9.270 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -2486.788324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2486.788324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2490.327494 (E_RNA)
where:
Base-Base interactions energy: -1733.913
where: short stacking energy: -713.750
Base-Backbone interact. energy: -3.108
local terms energy: -753.307245
where:
bonds (distance) C4'-P energy: -129.089
bonds (distance) P-C4' energy: -141.985
flat angles C4'-P-C4' energy: -154.865
flat angles P-C4'-P energy: -115.642
tors. eta vs tors. theta energy: -211.727
Dist. restrs. and SS energy: 3.539 (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: 10
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -2502.449548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2502.449548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2510.532543 (E_RNA)
where:
Base-Base interactions energy: -1780.676
where: short stacking energy: -730.990
Base-Backbone interact. energy: -0.495
local terms energy: -729.361778
where:
bonds (distance) C4'-P energy: -133.034
bonds (distance) P-C4' energy: -131.875
flat angles C4'-P-C4' energy: -144.039
flat angles P-C4'-P energy: -91.231
tors. eta vs tors. theta energy: -229.184
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: 6, replica: 4
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -2318.724162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2318.724162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2333.988166 (E_RNA)
where:
Base-Base interactions energy: -1614.109
where: short stacking energy: -680.634
Base-Backbone interact. energy: -3.118
local terms energy: -716.761445
where:
bonds (distance) C4'-P energy: -135.123
bonds (distance) P-C4' energy: -127.611
flat angles C4'-P-C4' energy: -137.707
flat angles P-C4'-P energy: -104.653
tors. eta vs tors. theta energy: -211.668
Dist. restrs. and SS energy: 15.264 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -2284.106430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2284.106430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2296.312988 (E_RNA)
where:
Base-Base interactions energy: -1623.480
where: short stacking energy: -698.639
Base-Backbone interact. energy: -3.112
local terms energy: -669.721751
where:
bonds (distance) C4'-P energy: -115.242
bonds (distance) P-C4' energy: -119.904
flat angles C4'-P-C4' energy: -142.086
flat angles P-C4'-P energy: -88.207
tors. eta vs tors. theta energy: -204.283
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: 8, replica: 9
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -2177.343696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2177.343696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2187.329137 (E_RNA)
where:
Base-Base interactions energy: -1550.565
where: short stacking energy: -642.608
Base-Backbone interact. energy: -2.299
local terms energy: -634.465115
where:
bonds (distance) C4'-P energy: -110.830
bonds (distance) P-C4' energy: -109.406
flat angles C4'-P-C4' energy: -144.506
flat angles P-C4'-P energy: -90.414
tors. eta vs tors. theta energy: -179.310
Dist. restrs. and SS energy: 9.985 (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: 6
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -2078.956594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2078.956594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2092.880311 (E_RNA)
where:
Base-Base interactions energy: -1472.577
where: short stacking energy: -606.418
Base-Backbone interact. energy: -1.406
local terms energy: -618.896951
where:
bonds (distance) C4'-P energy: -93.602
bonds (distance) P-C4' energy: -108.803
flat angles C4'-P-C4' energy: -152.190
flat angles P-C4'-P energy: -93.697
tors. eta vs tors. theta energy: -170.604
Dist. restrs. and SS energy: 13.924 (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: 1
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -1984.768219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1984.768219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2004.539498 (E_RNA)
where:
Base-Base interactions energy: -1394.525
where: short stacking energy: -575.382
Base-Backbone interact. energy: -0.938
local terms energy: -609.076834
where:
bonds (distance) C4'-P energy: -123.562
bonds (distance) P-C4' energy: -123.892
flat angles C4'-P-C4' energy: -126.075
flat angles P-C4'-P energy: -83.168
tors. eta vs tors. theta energy: -152.380
Dist. restrs. and SS energy: 19.771 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -2717.321448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2717.321448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2720.503850 (E_RNA)
where:
Base-Base interactions energy: -1912.226
where: short stacking energy: -801.454
Base-Backbone interact. energy: -3.258
local terms energy: -805.020420
where:
bonds (distance) C4'-P energy: -139.379
bonds (distance) P-C4' energy: -150.128
flat angles C4'-P-C4' energy: -153.710
flat angles P-C4'-P energy: -122.484
tors. eta vs tors. theta energy: -239.319
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: 2, replica: 3
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -2721.417933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2721.417933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2729.560632 (E_RNA)
where:
Base-Base interactions energy: -1911.807
where: short stacking energy: -817.649
Base-Backbone interact. energy: -0.228
local terms energy: -817.525188
where:
bonds (distance) C4'-P energy: -143.292
bonds (distance) P-C4' energy: -133.653
flat angles C4'-P-C4' energy: -169.732
flat angles P-C4'-P energy: -123.685
tors. eta vs tors. theta energy: -247.163
Dist. restrs. and SS energy: 8.143 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -2567.186372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2567.186372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2574.448893 (E_RNA)
where:
Base-Base interactions energy: -1778.903
where: short stacking energy: -759.166
Base-Backbone interact. energy: -2.683
local terms energy: -792.862105
where:
bonds (distance) C4'-P energy: -135.440
bonds (distance) P-C4' energy: -143.651
flat angles C4'-P-C4' energy: -165.927
flat angles P-C4'-P energy: -123.049
tors. eta vs tors. theta energy: -224.795
Dist. restrs. and SS energy: 7.263 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -2502.572958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2502.572958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2505.243856 (E_RNA)
where:
Base-Base interactions energy: -1745.247
where: short stacking energy: -761.112
Base-Backbone interact. energy: -2.318
local terms energy: -757.679666
where:
bonds (distance) C4'-P energy: -121.263
bonds (distance) P-C4' energy: -123.349
flat angles C4'-P-C4' energy: -168.565
flat angles P-C4'-P energy: -114.269
tors. eta vs tors. theta energy: -230.233
Dist. restrs. and SS energy: 2.671 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -2482.355864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2482.355864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2491.028679 (E_RNA)
where:
Base-Base interactions energy: -1734.206
where: short stacking energy: -727.918
Base-Backbone interact. energy: -3.077
local terms energy: -753.745698
where:
bonds (distance) C4'-P energy: -126.421
bonds (distance) P-C4' energy: -130.628
flat angles C4'-P-C4' energy: -166.267
flat angles P-C4'-P energy: -104.695
tors. eta vs tors. theta energy: -225.734
Dist. restrs. and SS energy: 8.673 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -2327.156847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2327.156847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2341.143725 (E_RNA)
where:
Base-Base interactions energy: -1646.829
where: short stacking energy: -695.692
Base-Backbone interact. energy: -2.797
local terms energy: -691.517951
where:
bonds (distance) C4'-P energy: -131.031
bonds (distance) P-C4' energy: -115.561
flat angles C4'-P-C4' energy: -147.289
flat angles P-C4'-P energy: -95.745
tors. eta vs tors. theta energy: -201.892
Dist. restrs. and SS energy: 13.987 (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: 7
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -2260.783787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2260.783787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2271.097602 (E_RNA)
where:
Base-Base interactions energy: -1596.261
where: short stacking energy: -671.998
Base-Backbone interact. energy: -0.537
local terms energy: -674.299690
where:
bonds (distance) C4'-P energy: -127.061
bonds (distance) P-C4' energy: -112.801
flat angles C4'-P-C4' energy: -138.754
flat angles P-C4'-P energy: -99.064
tors. eta vs tors. theta energy: -196.619
Dist. restrs. and SS energy: 10.314 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -2172.046554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2172.046554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2191.778754 (E_RNA)
where:
Base-Base interactions energy: -1564.953
where: short stacking energy: -628.920
Base-Backbone interact. energy: -1.883
local terms energy: -624.942975
where:
bonds (distance) C4'-P energy: -99.409
bonds (distance) P-C4' energy: -122.758
flat angles C4'-P-C4' energy: -145.679
flat angles P-C4'-P energy: -74.696
tors. eta vs tors. theta energy: -182.401
Dist. restrs. and SS energy: 19.732 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -2097.282365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2097.282365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2107.289899 (E_RNA)
where:
Base-Base interactions energy: -1487.542
where: short stacking energy: -621.413
Base-Backbone interact. energy: -1.794
local terms energy: -617.954158
where:
bonds (distance) C4'-P energy: -81.436
bonds (distance) P-C4' energy: -107.041
flat angles C4'-P-C4' energy: -146.150
flat angles P-C4'-P energy: -91.121
tors. eta vs tors. theta energy: -192.206
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: 10, replica: 1
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -1985.965360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1985.965360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2001.594790 (E_RNA)
where:
Base-Base interactions energy: -1409.867
where: short stacking energy: -594.303
Base-Backbone interact. energy: -1.661
local terms energy: -590.067375
where:
bonds (distance) C4'-P energy: -88.513
bonds (distance) P-C4' energy: -127.342
flat angles C4'-P-C4' energy: -129.219
flat angles P-C4'-P energy: -77.149
tors. eta vs tors. theta energy: -167.845
Dist. restrs. and SS energy: 15.629 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -2741.468033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2741.468033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2744.253986 (E_RNA)
where:
Base-Base interactions energy: -1931.894
where: short stacking energy: -832.544
Base-Backbone interact. energy: -3.952
local terms energy: -808.407769
where:
bonds (distance) C4'-P energy: -145.102
bonds (distance) P-C4' energy: -146.767
flat angles C4'-P-C4' energy: -158.836
flat angles P-C4'-P energy: -113.099
tors. eta vs tors. theta energy: -244.605
Dist. restrs. and SS energy: 2.786 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -2668.433192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2668.433192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2676.143777 (E_RNA)
where:
Base-Base interactions energy: -1870.946
where: short stacking energy: -775.277
Base-Backbone interact. energy: -3.097
local terms energy: -802.100211
where:
bonds (distance) C4'-P energy: -136.113
bonds (distance) P-C4' energy: -140.840
flat angles C4'-P-C4' energy: -167.335
flat angles P-C4'-P energy: -115.989
tors. eta vs tors. theta energy: -241.824
Dist. restrs. and SS energy: 7.711 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -2544.673651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2544.673651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2551.510746 (E_RNA)
where:
Base-Base interactions energy: -1758.819
where: short stacking energy: -730.618
Base-Backbone interact. energy: -3.975
local terms energy: -788.716634
where:
bonds (distance) C4'-P energy: -135.840
bonds (distance) P-C4' energy: -152.097
flat angles C4'-P-C4' energy: -165.317
flat angles P-C4'-P energy: -114.824
tors. eta vs tors. theta energy: -220.639
Dist. restrs. and SS energy: 6.837 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -2493.069006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2493.069006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2495.600509 (E_RNA)
where:
Base-Base interactions energy: -1746.842
where: short stacking energy: -748.687
Base-Backbone interact. energy: -3.866
local terms energy: -744.892110
where:
bonds (distance) C4'-P energy: -125.681
bonds (distance) P-C4' energy: -136.358
flat angles C4'-P-C4' energy: -159.903
flat angles P-C4'-P energy: -105.421
tors. eta vs tors. theta energy: -217.529
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: 5, replica: 10
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -2458.212062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2458.212062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2465.500375 (E_RNA)
where:
Base-Base interactions energy: -1732.719
where: short stacking energy: -735.414
Base-Backbone interact. energy: -2.040
local terms energy: -730.740957
where:
bonds (distance) C4'-P energy: -126.573
bonds (distance) P-C4' energy: -136.039
flat angles C4'-P-C4' energy: -159.335
flat angles P-C4'-P energy: -88.175
tors. eta vs tors. theta energy: -220.618
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: 6, replica: 4
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -2333.223490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2333.223490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2345.897158 (E_RNA)
where:
Base-Base interactions energy: -1650.324
where: short stacking energy: -724.021
Base-Backbone interact. energy: -4.754
local terms energy: -690.819395
where:
bonds (distance) C4'-P energy: -105.974
bonds (distance) P-C4' energy: -131.339
flat angles C4'-P-C4' energy: -144.516
flat angles P-C4'-P energy: -100.251
tors. eta vs tors. theta energy: -208.738
Dist. restrs. and SS energy: 12.674 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -2277.239453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2277.239453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2288.155089 (E_RNA)
where:
Base-Base interactions energy: -1629.197
where: short stacking energy: -683.031
Base-Backbone interact. energy: 0.696
local terms energy: -659.654485
where:
bonds (distance) C4'-P energy: -111.849
bonds (distance) P-C4' energy: -109.585
flat angles C4'-P-C4' energy: -147.435
flat angles P-C4'-P energy: -96.090
tors. eta vs tors. theta energy: -194.695
Dist. restrs. and SS energy: 10.916 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -2208.960017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2208.960017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2216.454812 (E_RNA)
where:
Base-Base interactions energy: -1593.516
where: short stacking energy: -649.509
Base-Backbone interact. energy: -0.030
local terms energy: -622.909690
where:
bonds (distance) C4'-P energy: -113.260
bonds (distance) P-C4' energy: -108.509
flat angles C4'-P-C4' energy: -131.423
flat angles P-C4'-P energy: -75.896
tors. eta vs tors. theta energy: -193.821
Dist. restrs. and SS energy: 7.495 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -2126.893394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2126.893394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2136.176421 (E_RNA)
where:
Base-Base interactions energy: -1512.982
where: short stacking energy: -629.884
Base-Backbone interact. energy: 3.874
local terms energy: -627.068292
where:
bonds (distance) C4'-P energy: -111.050
bonds (distance) P-C4' energy: -114.505
flat angles C4'-P-C4' energy: -142.859
flat angles P-C4'-P energy: -81.695
tors. eta vs tors. theta energy: -176.960
Dist. restrs. and SS energy: 9.283 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -1929.339031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1929.339031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1944.357850 (E_RNA)
where:
Base-Base interactions energy: -1352.545
where: short stacking energy: -532.435
Base-Backbone interact. energy: 3.857
local terms energy: -595.669496
where:
bonds (distance) C4'-P energy: -105.111
bonds (distance) P-C4' energy: -120.883
flat angles C4'-P-C4' energy: -132.512
flat angles P-C4'-P energy: -87.885
tors. eta vs tors. theta energy: -149.277
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: 1, replica: 8
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -2732.829745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2732.829745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2736.059866 (E_RNA)
where:
Base-Base interactions energy: -1911.136
where: short stacking energy: -828.766
Base-Backbone interact. energy: -2.133
local terms energy: -822.791190
where:
bonds (distance) C4'-P energy: -140.866
bonds (distance) P-C4' energy: -134.200
flat angles C4'-P-C4' energy: -177.750
flat angles P-C4'-P energy: -120.697
tors. eta vs tors. theta energy: -249.279
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: 2, replica: 3
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -2643.430734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2643.430734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2651.512754 (E_RNA)
where:
Base-Base interactions energy: -1862.784
where: short stacking energy: -799.525
Base-Backbone interact. energy: -0.313
local terms energy: -788.415757
where:
bonds (distance) C4'-P energy: -141.195
bonds (distance) P-C4' energy: -130.972
flat angles C4'-P-C4' energy: -169.662
flat angles P-C4'-P energy: -104.133
tors. eta vs tors. theta energy: -242.454
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: 5
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -2609.040686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2609.040686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2616.983710 (E_RNA)
where:
Base-Base interactions energy: -1815.975
where: short stacking energy: -775.771
Base-Backbone interact. energy: -2.480
local terms energy: -798.528057
where:
bonds (distance) C4'-P energy: -136.866
bonds (distance) P-C4' energy: -146.303
flat angles C4'-P-C4' energy: -160.655
flat angles P-C4'-P energy: -110.919
tors. eta vs tors. theta energy: -243.786
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: 4, replica: 2
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -2500.353562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2500.353562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2503.072152 (E_RNA)
where:
Base-Base interactions energy: -1734.576
where: short stacking energy: -735.355
Base-Backbone interact. energy: -2.325
local terms energy: -766.170686
where:
bonds (distance) C4'-P energy: -148.023
bonds (distance) P-C4' energy: -145.230
flat angles C4'-P-C4' energy: -157.084
flat angles P-C4'-P energy: -102.533
tors. eta vs tors. theta energy: -213.301
Dist. restrs. and SS energy: 2.719 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -2440.025716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2440.025716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2450.176295 (E_RNA)
where:
Base-Base interactions energy: -1675.426
where: short stacking energy: -719.172
Base-Backbone interact. energy: -3.000
local terms energy: -771.750405
where:
bonds (distance) C4'-P energy: -149.313
bonds (distance) P-C4' energy: -140.053
flat angles C4'-P-C4' energy: -156.333
flat angles P-C4'-P energy: -105.548
tors. eta vs tors. theta energy: -220.504
Dist. restrs. and SS energy: 10.151 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -2351.167581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2351.167581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2360.770261 (E_RNA)
where:
Base-Base interactions energy: -1669.780
where: short stacking energy: -709.509
Base-Backbone interact. energy: -0.513
local terms energy: -690.477367
where:
bonds (distance) C4'-P energy: -110.825
bonds (distance) P-C4' energy: -124.281
flat angles C4'-P-C4' energy: -157.534
flat angles P-C4'-P energy: -90.960
tors. eta vs tors. theta energy: -206.877
Dist. restrs. and SS energy: 9.603 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -2268.155446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2268.155446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2281.528339 (E_RNA)
where:
Base-Base interactions energy: -1609.015
where: short stacking energy: -671.709
Base-Backbone interact. energy: -2.184
local terms energy: -670.329258
where:
bonds (distance) C4'-P energy: -104.648
bonds (distance) P-C4' energy: -137.409
flat angles C4'-P-C4' energy: -151.853
flat angles P-C4'-P energy: -72.508
tors. eta vs tors. theta energy: -203.911
Dist. restrs. and SS energy: 13.373 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -2205.334090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2205.334090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2219.345007 (E_RNA)
where:
Base-Base interactions energy: -1552.742
where: short stacking energy: -637.219
Base-Backbone interact. energy: 0.491
local terms energy: -667.094123
where:
bonds (distance) C4'-P energy: -117.203
bonds (distance) P-C4' energy: -129.765
flat angles C4'-P-C4' energy: -145.062
flat angles P-C4'-P energy: -85.421
tors. eta vs tors. theta energy: -189.643
Dist. restrs. and SS energy: 14.011 (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: 6
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -2078.919783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2078.919783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2092.854986 (E_RNA)
where:
Base-Base interactions energy: -1459.956
where: short stacking energy: -635.255
Base-Backbone interact. energy: -1.700
local terms energy: -631.199417
where:
bonds (distance) C4'-P energy: -106.367
bonds (distance) P-C4' energy: -96.769
flat angles C4'-P-C4' energy: -149.478
flat angles P-C4'-P energy: -95.455
tors. eta vs tors. theta energy: -183.131
Dist. restrs. and SS energy: 13.935 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -1879.499365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.499365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.641201 (E_RNA)
where:
Base-Base interactions energy: -1344.205
where: short stacking energy: -545.986
Base-Backbone interact. energy: -0.860
local terms energy: -552.575773
where:
bonds (distance) C4'-P energy: -101.824
bonds (distance) P-C4' energy: -100.163
flat angles C4'-P-C4' energy: -138.440
flat angles P-C4'-P energy: -60.116
tors. eta vs tors. theta energy: -152.033
Dist. restrs. and SS energy: 18.142 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -2761.935422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2761.935422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2766.112457 (E_RNA)
where:
Base-Base interactions energy: -1930.935
where: short stacking energy: -816.865
Base-Backbone interact. energy: -3.356
local terms energy: -831.821043
where:
bonds (distance) C4'-P energy: -137.426
bonds (distance) P-C4' energy: -152.365
flat angles C4'-P-C4' energy: -178.545
flat angles P-C4'-P energy: -116.952
tors. eta vs tors. theta energy: -246.533
Dist. restrs. and SS energy: 4.177 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -2659.201827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2659.201827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2665.849159 (E_RNA)
where:
Base-Base interactions energy: -1863.623
where: short stacking energy: -782.833
Base-Backbone interact. energy: -4.811
local terms energy: -797.415626
where:
bonds (distance) C4'-P energy: -136.358
bonds (distance) P-C4' energy: -142.523
flat angles C4'-P-C4' energy: -170.602
flat angles P-C4'-P energy: -117.060
tors. eta vs tors. theta energy: -230.873
Dist. restrs. and SS energy: 6.647 (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: 5
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -2595.647944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2595.647944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2601.812409 (E_RNA)
where:
Base-Base interactions energy: -1797.442
where: short stacking energy: -793.894
Base-Backbone interact. energy: -3.551
local terms energy: -800.819397
where:
bonds (distance) C4'-P energy: -153.246
bonds (distance) P-C4' energy: -147.720
flat angles C4'-P-C4' energy: -163.019
flat angles P-C4'-P energy: -106.744
tors. eta vs tors. theta energy: -230.090
Dist. restrs. and SS energy: 6.164 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -2515.135067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2515.135067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2517.908462 (E_RNA)
where:
Base-Base interactions energy: -1736.346
where: short stacking energy: -765.896
Base-Backbone interact. energy: -0.967
local terms energy: -780.595969
where:
bonds (distance) C4'-P energy: -139.103
bonds (distance) P-C4' energy: -134.713
flat angles C4'-P-C4' energy: -163.357
flat angles P-C4'-P energy: -107.365
tors. eta vs tors. theta energy: -236.058
Dist. restrs. and SS energy: 2.773 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -2434.616104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2434.616104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2442.525197 (E_RNA)
where:
Base-Base interactions energy: -1712.785
where: short stacking energy: -734.722
Base-Backbone interact. energy: -2.245
local terms energy: -727.494800
where:
bonds (distance) C4'-P energy: -126.852
bonds (distance) P-C4' energy: -124.545
flat angles C4'-P-C4' energy: -165.239
flat angles P-C4'-P energy: -94.703
tors. eta vs tors. theta energy: -216.156
Dist. restrs. and SS energy: 7.909 (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: 206
Temperature: 1.150000
Total energy: -2358.735101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2358.735101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2365.285835 (E_RNA)
where:
Base-Base interactions energy: -1681.328
where: short stacking energy: -694.767
Base-Backbone interact. energy: 0.125
local terms energy: -684.083239
where:
bonds (distance) C4'-P energy: -115.231
bonds (distance) P-C4' energy: -130.133
flat angles C4'-P-C4' energy: -141.674
flat angles P-C4'-P energy: -91.065
tors. eta vs tors. theta energy: -205.979
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: 7, replica: 4
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -2215.945930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2215.945930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2227.651268 (E_RNA)
where:
Base-Base interactions energy: -1546.263
where: short stacking energy: -639.773
Base-Backbone interact. energy: 0.826
local terms energy: -682.214366
where:
bonds (distance) C4'-P energy: -117.997
bonds (distance) P-C4' energy: -138.396
flat angles C4'-P-C4' energy: -145.857
flat angles P-C4'-P energy: -79.009
tors. eta vs tors. theta energy: -200.955
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: 8, replica: 7
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -2156.508834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2156.508834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2177.539814 (E_RNA)
where:
Base-Base interactions energy: -1517.010
where: short stacking energy: -623.682
Base-Backbone interact. energy: -2.485
local terms energy: -658.044682
where:
bonds (distance) C4'-P energy: -134.162
bonds (distance) P-C4' energy: -113.743
flat angles C4'-P-C4' energy: -136.476
flat angles P-C4'-P energy: -84.617
tors. eta vs tors. theta energy: -189.047
Dist. restrs. and SS energy: 21.031 (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: 6
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -2173.878173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2173.878173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2186.880152 (E_RNA)
where:
Base-Base interactions energy: -1516.269
where: short stacking energy: -633.492
Base-Backbone interact. energy: -2.990
local terms energy: -667.620841
where:
bonds (distance) C4'-P energy: -118.392
bonds (distance) P-C4' energy: -119.588
flat angles C4'-P-C4' energy: -148.571
flat angles P-C4'-P energy: -101.407
tors. eta vs tors. theta energy: -179.664
Dist. restrs. and SS energy: 13.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -1896.310188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1896.310188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1918.217202 (E_RNA)
where:
Base-Base interactions energy: -1340.829
where: short stacking energy: -557.108
Base-Backbone interact. energy: -2.013
local terms energy: -575.375639
where:
bonds (distance) C4'-P energy: -102.627
bonds (distance) P-C4' energy: -110.746
flat angles C4'-P-C4' energy: -136.501
flat angles P-C4'-P energy: -73.839
tors. eta vs tors. theta energy: -151.663
Dist. restrs. and SS energy: 21.907 (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: 8
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -2718.999331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2718.999331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2722.123545 (E_RNA)
where:
Base-Base interactions energy: -1905.040
where: short stacking energy: -812.876
Base-Backbone interact. energy: -0.513
local terms energy: -816.570679
where:
bonds (distance) C4'-P energy: -143.845
bonds (distance) P-C4' energy: -150.008
flat angles C4'-P-C4' energy: -178.825
flat angles P-C4'-P energy: -102.069
tors. eta vs tors. theta energy: -241.825
Dist. restrs. and SS energy: 3.124 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -2646.225170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2646.225170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2658.171580 (E_RNA)
where:
Base-Base interactions energy: -1871.429
where: short stacking energy: -786.388
Base-Backbone interact. energy: -2.240
local terms energy: -784.502618
where:
bonds (distance) C4'-P energy: -121.386
bonds (distance) P-C4' energy: -133.976
flat angles C4'-P-C4' energy: -169.235
flat angles P-C4'-P energy: -123.949
tors. eta vs tors. theta energy: -235.957
Dist. restrs. and SS energy: 11.946 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -2608.982686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2608.982686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2617.701589 (E_RNA)
where:
Base-Base interactions energy: -1848.603
where: short stacking energy: -764.110
Base-Backbone interact. energy: -2.517
local terms energy: -766.581111
where:
bonds (distance) C4'-P energy: -141.801
bonds (distance) P-C4' energy: -126.189
flat angles C4'-P-C4' energy: -162.802
flat angles P-C4'-P energy: -113.727
tors. eta vs tors. theta energy: -222.062
Dist. restrs. and SS energy: 8.719 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -2480.282042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2480.282042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2483.068684 (E_RNA)
where:
Base-Base interactions energy: -1725.930
where: short stacking energy: -745.659
Base-Backbone interact. energy: 1.351
local terms energy: -758.490034
where:
bonds (distance) C4'-P energy: -129.767
bonds (distance) P-C4' energy: -133.333
flat angles C4'-P-C4' energy: -154.672
flat angles P-C4'-P energy: -111.262
tors. eta vs tors. theta energy: -229.456
Dist. restrs. and SS energy: 2.787 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -2495.336078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2495.336078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2504.014515 (E_RNA)
where:
Base-Base interactions energy: -1766.932
where: short stacking energy: -752.638
Base-Backbone interact. energy: -1.290
local terms energy: -735.792414
where:
bonds (distance) C4'-P energy: -131.090
bonds (distance) P-C4' energy: -133.173
flat angles C4'-P-C4' energy: -142.974
flat angles P-C4'-P energy: -107.964
tors. eta vs tors. theta energy: -220.590
Dist. restrs. and SS energy: 8.678 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -2370.806053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2370.806053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2376.925002 (E_RNA)
where:
Base-Base interactions energy: -1669.924
where: short stacking energy: -710.638
Base-Backbone interact. energy: -0.703
local terms energy: -706.297926
where:
bonds (distance) C4'-P energy: -119.400
bonds (distance) P-C4' energy: -127.664
flat angles C4'-P-C4' energy: -153.624
flat angles P-C4'-P energy: -93.484
tors. eta vs tors. theta energy: -212.127
Dist. restrs. and SS energy: 6.119 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -2261.215634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2261.215634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2274.220987 (E_RNA)
where:
Base-Base interactions energy: -1587.341
where: short stacking energy: -650.943
Base-Backbone interact. energy: -3.487
local terms energy: -683.392469
where:
bonds (distance) C4'-P energy: -125.731
bonds (distance) P-C4' energy: -135.352
flat angles C4'-P-C4' energy: -135.529
flat angles P-C4'-P energy: -102.857
tors. eta vs tors. theta energy: -183.924
Dist. restrs. and SS energy: 13.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -2225.632283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2225.632283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2238.689739 (E_RNA)
where:
Base-Base interactions energy: -1548.483
where: short stacking energy: -641.724
Base-Backbone interact. energy: -1.779
local terms energy: -688.426797
where:
bonds (distance) C4'-P energy: -116.305
bonds (distance) P-C4' energy: -137.920
flat angles C4'-P-C4' energy: -141.312
flat angles P-C4'-P energy: -103.383
tors. eta vs tors. theta energy: -189.507
Dist. restrs. and SS energy: 13.057 (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: 207
Temperature: 1.300000
Total energy: -2079.619368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2079.619368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.505109 (E_RNA)
where:
Base-Base interactions energy: -1491.035
where: short stacking energy: -613.212
Base-Backbone interact. energy: 0.936
local terms energy: -603.405360
where:
bonds (distance) C4'-P energy: -93.104
bonds (distance) P-C4' energy: -112.999
flat angles C4'-P-C4' energy: -131.477
flat angles P-C4'-P energy: -91.374
tors. eta vs tors. theta energy: -174.451
Dist. restrs. and SS energy: 13.886 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -1903.150921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1903.150921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1919.179143 (E_RNA)
where:
Base-Base interactions energy: -1353.284
where: short stacking energy: -544.385
Base-Backbone interact. energy: -0.392
local terms energy: -565.503706
where:
bonds (distance) C4'-P energy: -108.010
bonds (distance) P-C4' energy: -116.757
flat angles C4'-P-C4' energy: -118.353
flat angles P-C4'-P energy: -80.867
tors. eta vs tors. theta energy: -141.517
Dist. restrs. and SS energy: 16.028 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -2711.332049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2711.332049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2717.990801 (E_RNA)
where:
Base-Base interactions energy: -1894.571
where: short stacking energy: -779.445
Base-Backbone interact. energy: -2.068
local terms energy: -821.351843
where:
bonds (distance) C4'-P energy: -132.320
bonds (distance) P-C4' energy: -151.400
flat angles C4'-P-C4' energy: -176.968
flat angles P-C4'-P energy: -125.116
tors. eta vs tors. theta energy: -235.547
Dist. restrs. and SS energy: 6.659 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -2679.159541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2679.159541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2683.902175 (E_RNA)
where:
Base-Base interactions energy: -1886.322
where: short stacking energy: -806.780
Base-Backbone interact. energy: -2.907
local terms energy: -794.672954
where:
bonds (distance) C4'-P energy: -141.899
bonds (distance) P-C4' energy: -135.020
flat angles C4'-P-C4' energy: -173.578
flat angles P-C4'-P energy: -99.693
tors. eta vs tors. theta energy: -244.482
Dist. restrs. and SS energy: 4.743 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -2656.531370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2656.531370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2669.032266 (E_RNA)
where:
Base-Base interactions energy: -1863.798
where: short stacking energy: -762.563
Base-Backbone interact. energy: -1.785
local terms energy: -803.448980
where:
bonds (distance) C4'-P energy: -144.017
bonds (distance) P-C4' energy: -152.267
flat angles C4'-P-C4' energy: -161.395
flat angles P-C4'-P energy: -116.608
tors. eta vs tors. theta energy: -229.162
Dist. restrs. and SS energy: 12.501 (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: 2
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -2553.671445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2553.671445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2558.473580 (E_RNA)
where:
Base-Base interactions energy: -1808.265
where: short stacking energy: -761.356
Base-Backbone interact. energy: -4.138
local terms energy: -746.070709
where:
bonds (distance) C4'-P energy: -112.626
bonds (distance) P-C4' energy: -130.991
flat angles C4'-P-C4' energy: -153.345
flat angles P-C4'-P energy: -110.076
tors. eta vs tors. theta energy: -239.032
Dist. restrs. and SS energy: 4.802 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -2461.530937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2461.530937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2471.161115 (E_RNA)
where:
Base-Base interactions energy: -1736.800
where: short stacking energy: -752.135
Base-Backbone interact. energy: -2.959
local terms energy: -731.402342
where:
bonds (distance) C4'-P energy: -120.556
bonds (distance) P-C4' energy: -135.495
flat angles C4'-P-C4' energy: -150.482
flat angles P-C4'-P energy: -104.021
tors. eta vs tors. theta energy: -220.849
Dist. restrs. and SS energy: 9.630 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -2380.051469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2380.051469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2387.768022 (E_RNA)
where:
Base-Base interactions energy: -1683.453
where: short stacking energy: -696.348
Base-Backbone interact. energy: 2.919
local terms energy: -707.234538
where:
bonds (distance) C4'-P energy: -135.881
bonds (distance) P-C4' energy: -125.077
flat angles C4'-P-C4' energy: -145.099
flat angles P-C4'-P energy: -92.642
tors. eta vs tors. theta energy: -208.536
Dist. restrs. and SS energy: 7.717 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -2284.783446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2284.783446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2302.047429 (E_RNA)
where:
Base-Base interactions energy: -1596.668
where: short stacking energy: -681.080
Base-Backbone interact. energy: -3.052
local terms energy: -702.327718
where:
bonds (distance) C4'-P energy: -107.071
bonds (distance) P-C4' energy: -133.610
flat angles C4'-P-C4' energy: -161.900
flat angles P-C4'-P energy: -98.614
tors. eta vs tors. theta energy: -201.134
Dist. restrs. and SS energy: 17.264 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -2144.071207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2144.071207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2158.415264 (E_RNA)
where:
Base-Base interactions energy: -1531.345
where: short stacking energy: -637.753
Base-Backbone interact. energy: -0.331
local terms energy: -626.739218
where:
bonds (distance) C4'-P energy: -91.266
bonds (distance) P-C4' energy: -117.670
flat angles C4'-P-C4' energy: -142.895
flat angles P-C4'-P energy: -85.044
tors. eta vs tors. theta energy: -189.863
Dist. restrs. and SS energy: 14.344 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -2120.717578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2120.717578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2132.444445 (E_RNA)
where:
Base-Base interactions energy: -1487.930
where: short stacking energy: -629.983
Base-Backbone interact. energy: 1.897
local terms energy: -646.411969
where:
bonds (distance) C4'-P energy: -115.298
bonds (distance) P-C4' energy: -128.461
flat angles C4'-P-C4' energy: -130.820
flat angles P-C4'-P energy: -89.970
tors. eta vs tors. theta energy: -181.864
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: 10, replica: 1
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -1911.873892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1911.873892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1934.881482 (E_RNA)
where:
Base-Base interactions energy: -1343.317
where: short stacking energy: -536.854
Base-Backbone interact. energy: -3.425
local terms energy: -588.138861
where:
bonds (distance) C4'-P energy: -107.084
bonds (distance) P-C4' energy: -129.878
flat angles C4'-P-C4' energy: -129.888
flat angles P-C4'-P energy: -87.361
tors. eta vs tors. theta energy: -133.928
Dist. restrs. and SS energy: 23.008 (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: 5
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -2712.348484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2712.348484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2720.992542 (E_RNA)
where:
Base-Base interactions energy: -1915.891
where: short stacking energy: -790.472
Base-Backbone interact. energy: 0.268
local terms energy: -805.370425
where:
bonds (distance) C4'-P energy: -126.075
bonds (distance) P-C4' energy: -160.066
flat angles C4'-P-C4' energy: -170.413
flat angles P-C4'-P energy: -118.342
tors. eta vs tors. theta energy: -230.475
Dist. restrs. and SS energy: 8.644 (S_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: 209
Temperature: 0.950000
Total energy: -2693.304220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2693.304220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2697.299604 (E_RNA)
where:
Base-Base interactions energy: -1866.782
where: short stacking energy: -808.032
Base-Backbone interact. energy: -4.377
local terms energy: -826.140784
where:
bonds (distance) C4'-P energy: -152.724
bonds (distance) P-C4' energy: -152.461
flat angles C4'-P-C4' energy: -163.037
flat angles P-C4'-P energy: -111.729
tors. eta vs tors. theta energy: -246.189
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: 3, replica: 3
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -2651.210873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2651.210873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2661.741558 (E_RNA)
where:
Base-Base interactions energy: -1847.317
where: short stacking energy: -783.016
Base-Backbone interact. energy: 0.243
local terms energy: -814.668329
where:
bonds (distance) C4'-P energy: -145.307
bonds (distance) P-C4' energy: -145.642
flat angles C4'-P-C4' energy: -174.641
flat angles P-C4'-P energy: -111.006
tors. eta vs tors. theta energy: -238.072
Dist. restrs. and SS energy: 10.531 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -2549.820402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2549.820402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2553.366595 (E_RNA)
where:
Base-Base interactions energy: -1803.722
where: short stacking energy: -781.406
Base-Backbone interact. energy: -2.677
local terms energy: -746.968397
where:
bonds (distance) C4'-P energy: -131.060
bonds (distance) P-C4' energy: -118.556
flat angles C4'-P-C4' energy: -161.670
flat angles P-C4'-P energy: -106.968
tors. eta vs tors. theta energy: -228.715
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: 5, replica: 10
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -2446.514412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2446.514412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2456.078100 (E_RNA)
where:
Base-Base interactions energy: -1722.864
where: short stacking energy: -729.421
Base-Backbone interact. energy: -1.194
local terms energy: -732.020244
where:
bonds (distance) C4'-P energy: -134.086
bonds (distance) P-C4' energy: -127.700
flat angles C4'-P-C4' energy: -142.807
flat angles P-C4'-P energy: -108.759
tors. eta vs tors. theta energy: -218.668
Dist. restrs. and SS energy: 9.564 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -2299.393303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2299.393303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2309.366921 (E_RNA)
where:
Base-Base interactions energy: -1619.426
where: short stacking energy: -673.118
Base-Backbone interact. energy: -0.485
local terms energy: -689.456380
where:
bonds (distance) C4'-P energy: -128.336
bonds (distance) P-C4' energy: -129.165
flat angles C4'-P-C4' energy: -140.736
flat angles P-C4'-P energy: -96.008
tors. eta vs tors. theta energy: -195.211
Dist. restrs. and SS energy: 9.974 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -2307.442546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2307.442546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2314.580106 (E_RNA)
where:
Base-Base interactions energy: -1609.791
where: short stacking energy: -678.446
Base-Backbone interact. energy: 3.147
local terms energy: -707.936119
where:
bonds (distance) C4'-P energy: -114.917
bonds (distance) P-C4' energy: -135.296
flat angles C4'-P-C4' energy: -151.588
flat angles P-C4'-P energy: -101.142
tors. eta vs tors. theta energy: -204.994
Dist. restrs. and SS energy: 7.138 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -2198.445526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2198.445526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2208.315442 (E_RNA)
where:
Base-Base interactions energy: -1550.226
where: short stacking energy: -667.295
Base-Backbone interact. energy: -3.225
local terms energy: -654.864489
where:
bonds (distance) C4'-P energy: -102.736
bonds (distance) P-C4' energy: -116.154
flat angles C4'-P-C4' energy: -147.715
flat angles P-C4'-P energy: -93.470
tors. eta vs tors. theta energy: -194.789
Dist. restrs. and SS energy: 9.870 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -2072.611698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2072.611698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.934841 (E_RNA)
where:
Base-Base interactions energy: -1477.549
where: short stacking energy: -605.455
Base-Backbone interact. energy: -3.317
local terms energy: -608.067913
where:
bonds (distance) C4'-P energy: -94.707
bonds (distance) P-C4' energy: -114.334
flat angles C4'-P-C4' energy: -129.826
flat angles P-C4'-P energy: -87.666
tors. eta vs tors. theta energy: -181.535
Dist. restrs. and SS energy: 16.323 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -1888.163975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.163975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1904.158403 (E_RNA)
where:
Base-Base interactions energy: -1379.675
where: short stacking energy: -540.430
Base-Backbone interact. energy: 1.052
local terms energy: -525.536087
where:
bonds (distance) C4'-P energy: -93.533
bonds (distance) P-C4' energy: -104.982
flat angles C4'-P-C4' energy: -123.023
flat angles P-C4'-P energy: -62.052
tors. eta vs tors. theta energy: -141.946
Dist. restrs. and SS energy: 15.994 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -2738.321003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2738.321003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2747.588767 (E_RNA)
where:
Base-Base interactions energy: -1948.906
where: short stacking energy: -799.204
Base-Backbone interact. energy: -2.163
local terms energy: -796.519540
where:
bonds (distance) C4'-P energy: -144.137
bonds (distance) P-C4' energy: -147.645
flat angles C4'-P-C4' energy: -161.321
flat angles P-C4'-P energy: -112.791
tors. eta vs tors. theta energy: -230.625
Dist. restrs. and SS energy: 9.268 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -2684.528276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2684.528276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2688.831886 (E_RNA)
where:
Base-Base interactions energy: -1908.412
where: short stacking energy: -816.123
Base-Backbone interact. energy: -5.826
local terms energy: -774.593985
where:
bonds (distance) C4'-P energy: -138.275
bonds (distance) P-C4' energy: -126.988
flat angles C4'-P-C4' energy: -174.242
flat angles P-C4'-P energy: -93.750
tors. eta vs tors. theta energy: -241.339
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: 3, replica: 3
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -2610.116447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2610.116447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2619.117472 (E_RNA)
where:
Base-Base interactions energy: -1832.745
where: short stacking energy: -754.577
Base-Backbone interact. energy: -2.899
local terms energy: -783.473733
where:
bonds (distance) C4'-P energy: -133.400
bonds (distance) P-C4' energy: -149.080
flat angles C4'-P-C4' energy: -160.057
flat angles P-C4'-P energy: -107.591
tors. eta vs tors. theta energy: -233.346
Dist. restrs. and SS energy: 9.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -2507.981336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2507.981336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2511.407257 (E_RNA)
where:
Base-Base interactions energy: -1767.418
where: short stacking energy: -748.480
Base-Backbone interact. energy: -1.808
local terms energy: -742.181226
where:
bonds (distance) C4'-P energy: -126.663
bonds (distance) P-C4' energy: -129.907
flat angles C4'-P-C4' energy: -157.737
flat angles P-C4'-P energy: -104.794
tors. eta vs tors. theta energy: -223.079
Dist. restrs. and SS energy: 3.426 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -2466.016561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2466.016561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2474.093799 (E_RNA)
where:
Base-Base interactions energy: -1708.711
where: short stacking energy: -739.855
Base-Backbone interact. energy: -1.726
local terms energy: -763.656612
where:
bonds (distance) C4'-P energy: -126.693
bonds (distance) P-C4' energy: -148.430
flat angles C4'-P-C4' energy: -158.845
flat angles P-C4'-P energy: -118.514
tors. eta vs tors. theta energy: -211.176
Dist. restrs. and SS energy: 8.077 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -2352.241413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2352.241413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2356.906766 (E_RNA)
where:
Base-Base interactions energy: -1664.104
where: short stacking energy: -709.118
Base-Backbone interact. energy: -0.486
local terms energy: -692.316663
where:
bonds (distance) C4'-P energy: -119.151
bonds (distance) P-C4' energy: -129.718
flat angles C4'-P-C4' energy: -139.209
flat angles P-C4'-P energy: -88.614
tors. eta vs tors. theta energy: -215.624
Dist. restrs. and SS energy: 4.665 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -2281.609156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2281.609156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2295.166041 (E_RNA)
where:
Base-Base interactions energy: -1598.634
where: short stacking energy: -658.225
Base-Backbone interact. energy: -0.361
local terms energy: -696.170937
where:
bonds (distance) C4'-P energy: -135.427
bonds (distance) P-C4' energy: -135.770
flat angles C4'-P-C4' energy: -137.518
flat angles P-C4'-P energy: -88.423
tors. eta vs tors. theta energy: -199.033
Dist. restrs. and SS energy: 13.557 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -2250.049022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2250.049022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2259.806456 (E_RNA)
where:
Base-Base interactions energy: -1611.842
where: short stacking energy: -672.916
Base-Backbone interact. energy: -3.886
local terms energy: -644.078461
where:
bonds (distance) C4'-P energy: -99.295
bonds (distance) P-C4' energy: -120.059
flat angles C4'-P-C4' energy: -147.315
flat angles P-C4'-P energy: -85.507
tors. eta vs tors. theta energy: -191.902
Dist. restrs. and SS energy: 9.757 (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: 6
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -2067.696512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2067.696512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2079.557760 (E_RNA)
where:
Base-Base interactions energy: -1465.718
where: short stacking energy: -598.190
Base-Backbone interact. energy: 1.430
local terms energy: -615.270063
where:
bonds (distance) C4'-P energy: -125.538
bonds (distance) P-C4' energy: -114.545
flat angles C4'-P-C4' energy: -122.128
flat angles P-C4'-P energy: -69.884
tors. eta vs tors. theta energy: -183.174
Dist. restrs. and SS energy: 11.861 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -1868.738735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.738735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.139193 (E_RNA)
where:
Base-Base interactions energy: -1325.761
where: short stacking energy: -549.612
Base-Backbone interact. energy: 5.530
local terms energy: -563.908026
where:
bonds (distance) C4'-P energy: -107.193
bonds (distance) P-C4' energy: -96.223
flat angles C4'-P-C4' energy: -135.595
flat angles P-C4'-P energy: -66.820
tors. eta vs tors. theta energy: -158.078
Dist. restrs. and SS energy: 15.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -2749.281303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2749.281303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2755.808555 (E_RNA)
where:
Base-Base interactions energy: -1950.371
where: short stacking energy: -812.059
Base-Backbone interact. energy: 0.738
local terms energy: -806.175657
where:
bonds (distance) C4'-P energy: -143.871
bonds (distance) P-C4' energy: -151.392
flat angles C4'-P-C4' energy: -155.221
flat angles P-C4'-P energy: -111.245
tors. eta vs tors. theta energy: -244.446
Dist. restrs. and SS energy: 6.527 (S_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: 211
Temperature: 0.950000
Total energy: -2685.788787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2685.788787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2688.601157 (E_RNA)
where:
Base-Base interactions energy: -1881.368
where: short stacking energy: -791.819
Base-Backbone interact. energy: -3.977
local terms energy: -803.256344
where:
bonds (distance) C4'-P energy: -137.905
bonds (distance) P-C4' energy: -137.263
flat angles C4'-P-C4' energy: -170.360
flat angles P-C4'-P energy: -119.306
tors. eta vs tors. theta energy: -238.423
Dist. restrs. and SS energy: 2.812 (S_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: 211
Temperature: 1.000000
Total energy: -2627.533534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2627.533534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2634.172690 (E_RNA)
where:
Base-Base interactions energy: -1874.981
where: short stacking energy: -779.082
Base-Backbone interact. energy: -4.611
local terms energy: -754.581238
where:
bonds (distance) C4'-P energy: -126.399
bonds (distance) P-C4' energy: -130.021
flat angles C4'-P-C4' energy: -148.969
flat angles P-C4'-P energy: -110.865
tors. eta vs tors. theta energy: -238.328
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: 4, replica: 2
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -2556.961606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2556.961606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2561.875273 (E_RNA)
where:
Base-Base interactions energy: -1802.582
where: short stacking energy: -760.847
Base-Backbone interact. energy: -0.775
local terms energy: -758.518216
where:
bonds (distance) C4'-P energy: -131.012
bonds (distance) P-C4' energy: -144.456
flat angles C4'-P-C4' energy: -155.890
flat angles P-C4'-P energy: -93.505
tors. eta vs tors. theta energy: -233.655
Dist. restrs. and SS energy: 4.914 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -2429.837480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2429.837480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2437.836774 (E_RNA)
where:
Base-Base interactions energy: -1723.979
where: short stacking energy: -699.218
Base-Backbone interact. energy: -0.214
local terms energy: -713.644221
where:
bonds (distance) C4'-P energy: -125.779
bonds (distance) P-C4' energy: -117.337
flat angles C4'-P-C4' energy: -161.282
flat angles P-C4'-P energy: -101.145
tors. eta vs tors. theta energy: -208.101
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: 6, replica: 4
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -2341.337427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2341.337427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2355.191224 (E_RNA)
where:
Base-Base interactions energy: -1657.286
where: short stacking energy: -691.089
Base-Backbone interact. energy: -0.962
local terms energy: -696.942898
where:
bonds (distance) C4'-P energy: -120.786
bonds (distance) P-C4' energy: -135.744
flat angles C4'-P-C4' energy: -145.541
flat angles P-C4'-P energy: -88.734
tors. eta vs tors. theta energy: -206.138
Dist. restrs. and SS energy: 13.854 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -2342.560695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2342.560695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2347.663243 (E_RNA)
where:
Base-Base interactions energy: -1638.748
where: short stacking energy: -683.846
Base-Backbone interact. energy: -1.474
local terms energy: -707.441047
where:
bonds (distance) C4'-P energy: -115.038
bonds (distance) P-C4' energy: -129.609
flat angles C4'-P-C4' energy: -150.598
flat angles P-C4'-P energy: -105.233
tors. eta vs tors. theta energy: -206.963
Dist. restrs. and SS energy: 5.103 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -2219.059406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2219.059406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2237.677949 (E_RNA)
where:
Base-Base interactions energy: -1524.768
where: short stacking energy: -659.458
Base-Backbone interact. energy: -4.048
local terms energy: -708.861653
where:
bonds (distance) C4'-P energy: -143.729
bonds (distance) P-C4' energy: -125.509
flat angles C4'-P-C4' energy: -152.695
flat angles P-C4'-P energy: -99.279
tors. eta vs tors. theta energy: -187.650
Dist. restrs. and SS energy: 18.619 (S_DIST_RNA)
chem. 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: -2080.518628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2080.518628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2101.118301 (E_RNA)
where:
Base-Base interactions energy: -1500.203
where: short stacking energy: -580.798
Base-Backbone interact. energy: 1.012
local terms energy: -601.927638
where:
bonds (distance) C4'-P energy: -122.844
bonds (distance) P-C4' energy: -124.417
flat angles C4'-P-C4' energy: -119.889
flat angles P-C4'-P energy: -73.093
tors. eta vs tors. theta energy: -161.685
Dist. restrs. and SS energy: 20.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -1906.454192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.454192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1928.104795 (E_RNA)
where:
Base-Base interactions energy: -1343.044
where: short stacking energy: -559.850
Base-Backbone interact. energy: -0.790
local terms energy: -584.270096
where:
bonds (distance) C4'-P energy: -122.823
bonds (distance) P-C4' energy: -97.997
flat angles C4'-P-C4' energy: -128.068
flat angles P-C4'-P energy: -80.118
tors. eta vs tors. theta energy: -155.264
Dist. restrs. and SS energy: 21.651 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -2732.964810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2732.964810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2740.399432 (E_RNA)
where:
Base-Base interactions energy: -1924.940
where: short stacking energy: -799.395
Base-Backbone interact. energy: -1.775
local terms energy: -813.684202
where:
bonds (distance) C4'-P energy: -143.584
bonds (distance) P-C4' energy: -146.983
flat angles C4'-P-C4' energy: -179.083
flat angles P-C4'-P energy: -110.914
tors. eta vs tors. theta energy: -233.120
Dist. restrs. and SS energy: 7.435 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -2684.913736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2684.913736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2689.409947 (E_RNA)
where:
Base-Base interactions energy: -1890.198
where: short stacking energy: -803.470
Base-Backbone interact. energy: -1.840
local terms energy: -797.372520
where:
bonds (distance) C4'-P energy: -146.117
bonds (distance) P-C4' energy: -141.474
flat angles C4'-P-C4' energy: -157.212
flat angles P-C4'-P energy: -114.423
tors. eta vs tors. theta energy: -238.147
Dist. restrs. and SS energy: 4.496 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -2605.886114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2605.886114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2619.173865 (E_RNA)
where:
Base-Base interactions energy: -1843.913
where: short stacking energy: -748.051
Base-Backbone interact. energy: -1.636
local terms energy: -773.624779
where:
bonds (distance) C4'-P energy: -134.168
bonds (distance) P-C4' energy: -154.407
flat angles C4'-P-C4' energy: -149.286
flat angles P-C4'-P energy: -109.777
tors. eta vs tors. theta energy: -225.987
Dist. restrs. and SS energy: 13.288 (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: 2
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -2529.411976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2529.411976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2532.915291 (E_RNA)
where:
Base-Base interactions energy: -1786.838
where: short stacking energy: -752.178
Base-Backbone interact. energy: -1.666
local terms energy: -744.411096
where:
bonds (distance) C4'-P energy: -122.187
bonds (distance) P-C4' energy: -134.627
flat angles C4'-P-C4' energy: -152.035
flat angles P-C4'-P energy: -116.441
tors. eta vs tors. theta energy: -219.122
Dist. restrs. and SS energy: 3.503 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -2444.577575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2444.577575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2453.311039 (E_RNA)
where:
Base-Base interactions energy: -1717.543
where: short stacking energy: -711.872
Base-Backbone interact. energy: -2.981
local terms energy: -732.787228
where:
bonds (distance) C4'-P energy: -135.329
bonds (distance) P-C4' energy: -128.043
flat angles C4'-P-C4' energy: -153.900
flat angles P-C4'-P energy: -105.422
tors. eta vs tors. theta energy: -210.093
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: 6, replica: 10
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -2400.334942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2400.334942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2406.527846 (E_RNA)
where:
Base-Base interactions energy: -1667.616
where: short stacking energy: -708.652
Base-Backbone interact. energy: -2.021
local terms energy: -736.891120
where:
bonds (distance) C4'-P energy: -118.233
bonds (distance) P-C4' energy: -135.037
flat angles C4'-P-C4' energy: -175.397
flat angles P-C4'-P energy: -89.723
tors. eta vs tors. theta energy: -218.501
Dist. restrs. and SS energy: 6.193 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -2301.599072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2301.599072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2311.967479 (E_RNA)
where:
Base-Base interactions energy: -1619.686
where: short stacking energy: -664.095
Base-Backbone interact. energy: -0.950
local terms energy: -691.331290
where:
bonds (distance) C4'-P energy: -115.146
bonds (distance) P-C4' energy: -137.808
flat angles C4'-P-C4' energy: -142.702
flat angles P-C4'-P energy: -98.041
tors. eta vs tors. theta energy: -197.636
Dist. restrs. and SS energy: 10.368 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -2126.986688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2126.986688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2143.353030 (E_RNA)
where:
Base-Base interactions energy: -1505.262
where: short stacking energy: -647.002
Base-Backbone interact. energy: -1.841
local terms energy: -636.250876
where:
bonds (distance) C4'-P energy: -106.799
bonds (distance) P-C4' energy: -120.734
flat angles C4'-P-C4' energy: -130.848
flat angles P-C4'-P energy: -87.536
tors. eta vs tors. theta energy: -190.335
Dist. restrs. and SS energy: 16.366 (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: 212
Temperature: 1.300000
Total energy: -2041.042339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2041.042339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2055.378607 (E_RNA)
where:
Base-Base interactions energy: -1435.557
where: short stacking energy: -594.030
Base-Backbone interact. energy: 1.721
local terms energy: -621.542220
where:
bonds (distance) C4'-P energy: -106.469
bonds (distance) P-C4' energy: -128.249
flat angles C4'-P-C4' energy: -122.748
flat angles P-C4'-P energy: -99.568
tors. eta vs tors. theta energy: -164.508
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: 10, replica: 1
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -1914.649869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1914.649869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1936.997958 (E_RNA)
where:
Base-Base interactions energy: -1345.572
where: short stacking energy: -557.087
Base-Backbone interact. energy: 2.530
local terms energy: -593.956613
where:
bonds (distance) C4'-P energy: -115.115
bonds (distance) P-C4' energy: -103.121
flat angles C4'-P-C4' energy: -145.993
flat angles P-C4'-P energy: -79.072
tors. eta vs tors. theta energy: -150.655
Dist. restrs. and SS energy: 22.348 (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: 5
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -2702.834213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2702.834213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2707.854328 (E_RNA)
where:
Base-Base interactions energy: -1905.959
where: short stacking energy: -791.836
Base-Backbone interact. energy: -4.812
local terms energy: -797.083215
where:
bonds (distance) C4'-P energy: -147.989
bonds (distance) P-C4' energy: -149.936
flat angles C4'-P-C4' energy: -160.283
flat angles P-C4'-P energy: -102.367
tors. eta vs tors. theta energy: -236.508
Dist. restrs. and SS energy: 5.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -2696.832327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2696.832327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2699.342088 (E_RNA)
where:
Base-Base interactions energy: -1888.244
where: short stacking energy: -808.477
Base-Backbone interact. energy: -2.325
local terms energy: -808.772292
where:
bonds (distance) C4'-P energy: -140.592
bonds (distance) P-C4' energy: -135.018
flat angles C4'-P-C4' energy: -174.951
flat angles P-C4'-P energy: -117.979
tors. eta vs tors. theta energy: -240.232
Dist. restrs. and SS energy: 2.510 (S_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: 213
Temperature: 1.000000
Total energy: -2602.824291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2602.824291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2611.831649 (E_RNA)
where:
Base-Base interactions energy: -1810.689
where: short stacking energy: -778.671
Base-Backbone interact. energy: -4.741
local terms energy: -796.400790
where:
bonds (distance) C4'-P energy: -138.057
bonds (distance) P-C4' energy: -142.703
flat angles C4'-P-C4' energy: -169.200
flat angles P-C4'-P energy: -121.439
tors. eta vs tors. theta energy: -225.002
Dist. restrs. and SS energy: 9.007 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -2520.401381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2520.401381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2526.144840 (E_RNA)
where:
Base-Base interactions energy: -1802.701
where: short stacking energy: -735.381
Base-Backbone interact. energy: -0.549
local terms energy: -722.894143
where:
bonds (distance) C4'-P energy: -132.537
bonds (distance) P-C4' energy: -121.282
flat angles C4'-P-C4' energy: -164.107
flat angles P-C4'-P energy: -86.303
tors. eta vs tors. theta energy: -218.665
Dist. restrs. and SS energy: 5.743 (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: 4
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -2423.922944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2423.922944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2434.279720 (E_RNA)
where:
Base-Base interactions energy: -1708.905
where: short stacking energy: -716.248
Base-Backbone interact. energy: 0.660
local terms energy: -726.034313
where:
bonds (distance) C4'-P energy: -127.068
bonds (distance) P-C4' energy: -120.649
flat angles C4'-P-C4' energy: -149.182
flat angles P-C4'-P energy: -113.793
tors. eta vs tors. theta energy: -215.342
Dist. restrs. and SS energy: 10.357 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -2377.172246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2377.172246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2390.229997 (E_RNA)
where:
Base-Base interactions energy: -1654.729
where: short stacking energy: -703.489
Base-Backbone interact. energy: -0.709
local terms energy: -734.791605
where:
bonds (distance) C4'-P energy: -125.368
bonds (distance) P-C4' energy: -129.348
flat angles C4'-P-C4' energy: -161.480
flat angles P-C4'-P energy: -104.767
tors. eta vs tors. theta energy: -213.829
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: 9
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -2283.354313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2283.354313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2290.384079 (E_RNA)
where:
Base-Base interactions energy: -1622.291
where: short stacking energy: -681.824
Base-Backbone interact. energy: -1.153
local terms energy: -666.939873
where:
bonds (distance) C4'-P energy: -109.928
bonds (distance) P-C4' energy: -124.200
flat angles C4'-P-C4' energy: -141.270
flat angles P-C4'-P energy: -81.730
tors. eta vs tors. theta energy: -209.812
Dist. restrs. and SS energy: 7.030 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -2162.594780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2162.594780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2174.781230 (E_RNA)
where:
Base-Base interactions energy: -1504.585
where: short stacking energy: -636.575
Base-Backbone interact. energy: -3.583
local terms energy: -666.613286
where:
bonds (distance) C4'-P energy: -119.152
bonds (distance) P-C4' energy: -115.762
flat angles C4'-P-C4' energy: -144.983
flat angles P-C4'-P energy: -85.111
tors. eta vs tors. theta energy: -201.606
Dist. restrs. and SS energy: 12.186 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -2053.803268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2053.803268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2070.005071 (E_RNA)
where:
Base-Base interactions energy: -1460.738
where: short stacking energy: -623.258
Base-Backbone interact. energy: 4.220
local terms energy: -613.487499
where:
bonds (distance) C4'-P energy: -117.051
bonds (distance) P-C4' energy: -101.425
flat angles C4'-P-C4' energy: -117.442
flat angles P-C4'-P energy: -100.643
tors. eta vs tors. theta energy: -176.926
Dist. restrs. and SS energy: 16.202 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -1876.081751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.081751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1900.500895 (E_RNA)
where:
Base-Base interactions energy: -1358.694
where: short stacking energy: -561.290
Base-Backbone interact. energy: -1.471
local terms energy: -540.336072
where:
bonds (distance) C4'-P energy: -95.364
bonds (distance) P-C4' energy: -100.826
flat angles C4'-P-C4' energy: -112.092
flat angles P-C4'-P energy: -74.923
tors. eta vs tors. theta energy: -157.132
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: 1, replica: 5
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -2720.155220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2720.155220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2728.981023 (E_RNA)
where:
Base-Base interactions energy: -1915.841
where: short stacking energy: -804.694
Base-Backbone interact. energy: -2.283
local terms energy: -810.857015
where:
bonds (distance) C4'-P energy: -150.061
bonds (distance) P-C4' energy: -149.790
flat angles C4'-P-C4' energy: -159.735
flat angles P-C4'-P energy: -115.487
tors. eta vs tors. theta energy: -235.784
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: 2, replica: 8
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -2688.062183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2688.062183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2692.307164 (E_RNA)
where:
Base-Base interactions energy: -1887.907
where: short stacking energy: -793.663
Base-Backbone interact. energy: -3.156
local terms energy: -801.244153
where:
bonds (distance) C4'-P energy: -144.475
bonds (distance) P-C4' energy: -139.720
flat angles C4'-P-C4' energy: -169.881
flat angles P-C4'-P energy: -108.356
tors. eta vs tors. theta energy: -238.812
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: 3, replica: 3
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -2619.000727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2619.000727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2624.837928 (E_RNA)
where:
Base-Base interactions energy: -1825.322
where: short stacking energy: -759.869
Base-Backbone interact. energy: -2.604
local terms energy: -796.912081
where:
bonds (distance) C4'-P energy: -145.646
bonds (distance) P-C4' energy: -148.841
flat angles C4'-P-C4' energy: -164.158
flat angles P-C4'-P energy: -104.007
tors. eta vs tors. theta energy: -234.259
Dist. restrs. and SS energy: 5.837 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -2513.715303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2513.715303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2519.650190 (E_RNA)
where:
Base-Base interactions energy: -1796.483
where: short stacking energy: -744.745
Base-Backbone interact. energy: -0.532
local terms energy: -722.634980
where:
bonds (distance) C4'-P energy: -123.823
bonds (distance) P-C4' energy: -126.881
flat angles C4'-P-C4' energy: -156.829
flat angles P-C4'-P energy: -87.141
tors. eta vs tors. theta energy: -227.961
Dist. restrs. and SS energy: 5.935 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -2446.258114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2446.258114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2454.926424 (E_RNA)
where:
Base-Base interactions energy: -1761.008
where: short stacking energy: -765.435
Base-Backbone interact. energy: 8.371
local terms energy: -702.289542
where:
bonds (distance) C4'-P energy: -120.095
bonds (distance) P-C4' energy: -112.781
flat angles C4'-P-C4' energy: -148.223
flat angles P-C4'-P energy: -102.535
tors. eta vs tors. theta energy: -218.655
Dist. restrs. and SS energy: 8.668 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -2363.822080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2363.822080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2372.483233 (E_RNA)
where:
Base-Base interactions energy: -1661.590
where: short stacking energy: -703.553
Base-Backbone interact. energy: -1.075
local terms energy: -709.817391
where:
bonds (distance) C4'-P energy: -118.311
bonds (distance) P-C4' energy: -129.075
flat angles C4'-P-C4' energy: -152.242
flat angles P-C4'-P energy: -103.824
tors. eta vs tors. theta energy: -206.366
Dist. restrs. and SS energy: 8.661 (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: 9
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -2305.580256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2305.580256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2313.809934 (E_RNA)
where:
Base-Base interactions energy: -1631.820
where: short stacking energy: -693.034
Base-Backbone interact. energy: 0.532
local terms energy: -682.521444
where:
bonds (distance) C4'-P energy: -130.378
bonds (distance) P-C4' energy: -116.103
flat angles C4'-P-C4' energy: -146.413
flat angles P-C4'-P energy: -83.327
tors. eta vs tors. theta energy: -206.300
Dist. restrs. and SS energy: 8.230 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -2186.769858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2186.769858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2203.088540 (E_RNA)
where:
Base-Base interactions energy: -1575.768
where: short stacking energy: -679.621
Base-Backbone interact. energy: -1.845
local terms energy: -625.475817
where:
bonds (distance) C4'-P energy: -100.842
bonds (distance) P-C4' energy: -101.605
flat angles C4'-P-C4' energy: -139.925
flat angles P-C4'-P energy: -83.917
tors. eta vs tors. theta energy: -199.187
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: 9, replica: 6
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -2059.300037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2059.300037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2083.586549 (E_RNA)
where:
Base-Base interactions energy: -1440.985
where: short stacking energy: -574.371
Base-Backbone interact. energy: -2.666
local terms energy: -639.935734
where:
bonds (distance) C4'-P energy: -122.204
bonds (distance) P-C4' energy: -105.680
flat angles C4'-P-C4' energy: -140.720
flat angles P-C4'-P energy: -92.511
tors. eta vs tors. theta energy: -178.821
Dist. restrs. and SS energy: 24.287 (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: 1
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -1867.024279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.024279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1888.848596 (E_RNA)
where:
Base-Base interactions energy: -1321.118
where: short stacking energy: -537.071
Base-Backbone interact. energy: -3.647
local terms energy: -564.083822
where:
bonds (distance) C4'-P energy: -112.596
bonds (distance) P-C4' energy: -118.311
flat angles C4'-P-C4' energy: -124.187
flat angles P-C4'-P energy: -67.784
tors. eta vs tors. theta energy: -141.206
Dist. restrs. and SS energy: 21.824 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -2720.255595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2720.255595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2726.645213 (E_RNA)
where:
Base-Base interactions energy: -1890.898
where: short stacking energy: -783.077
Base-Backbone interact. energy: -0.556
local terms energy: -835.190892
where:
bonds (distance) C4'-P energy: -141.268
bonds (distance) P-C4' energy: -154.546
flat angles C4'-P-C4' energy: -188.042
flat angles P-C4'-P energy: -117.176
tors. eta vs tors. theta energy: -234.159
Dist. restrs. and SS energy: 6.390 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -2661.968652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2661.968652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2665.248180 (E_RNA)
where:
Base-Base interactions energy: -1861.262
where: short stacking energy: -806.135
Base-Backbone interact. energy: -0.861
local terms energy: -803.124798
where:
bonds (distance) C4'-P energy: -148.155
bonds (distance) P-C4' energy: -136.587
flat angles C4'-P-C4' energy: -167.049
flat angles P-C4'-P energy: -108.147
tors. eta vs tors. theta energy: -243.187
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: 3
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -2637.964489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2637.964489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2645.385323 (E_RNA)
where:
Base-Base interactions energy: -1851.512
where: short stacking energy: -783.554
Base-Backbone interact. energy: -1.369
local terms energy: -792.504289
where:
bonds (distance) C4'-P energy: -132.415
bonds (distance) P-C4' energy: -137.771
flat angles C4'-P-C4' energy: -157.204
flat angles P-C4'-P energy: -122.908
tors. eta vs tors. theta energy: -242.206
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: 4, replica: 2
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -2546.906353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2546.906353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2551.255079 (E_RNA)
where:
Base-Base interactions energy: -1773.154
where: short stacking energy: -759.121
Base-Backbone interact. energy: -1.147
local terms energy: -776.954176
where:
bonds (distance) C4'-P energy: -131.185
bonds (distance) P-C4' energy: -149.192
flat angles C4'-P-C4' energy: -169.972
flat angles P-C4'-P energy: -97.827
tors. eta vs tors. theta energy: -228.777
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: 5, replica: 4
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -2403.794553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2403.794553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2413.263312 (E_RNA)
where:
Base-Base interactions energy: -1720.164
where: short stacking energy: -683.952
Base-Backbone interact. energy: -3.182
local terms energy: -689.917734
where:
bonds (distance) C4'-P energy: -99.229
bonds (distance) P-C4' energy: -127.566
flat angles C4'-P-C4' energy: -146.709
flat angles P-C4'-P energy: -101.814
tors. eta vs tors. theta energy: -214.600
Dist. restrs. and SS energy: 9.469 (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: 10
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -2406.877347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2406.877347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2418.106938 (E_RNA)
where:
Base-Base interactions energy: -1684.740
where: short stacking energy: -713.078
Base-Backbone interact. energy: -0.341
local terms energy: -733.026218
where:
bonds (distance) C4'-P energy: -137.127
bonds (distance) P-C4' energy: -129.931
flat angles C4'-P-C4' energy: -155.042
flat angles P-C4'-P energy: -95.731
tors. eta vs tors. theta energy: -215.196
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: 7, replica: 9
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -2294.348713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2294.348713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2299.856555 (E_RNA)
where:
Base-Base interactions energy: -1600.106
where: short stacking energy: -655.991
Base-Backbone interact. energy: -1.690
local terms energy: -698.059745
where:
bonds (distance) C4'-P energy: -107.379
bonds (distance) P-C4' energy: -143.790
flat angles C4'-P-C4' energy: -137.061
flat angles P-C4'-P energy: -105.111
tors. eta vs tors. theta energy: -204.719
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: 8, replica: 7
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -2112.870035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2112.870035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2126.170790 (E_RNA)
where:
Base-Base interactions energy: -1485.950
where: short stacking energy: -625.347
Base-Backbone interact. energy: 5.895
local terms energy: -646.115312
where:
bonds (distance) C4'-P energy: -116.047
bonds (distance) P-C4' energy: -107.863
flat angles C4'-P-C4' energy: -144.370
flat angles P-C4'-P energy: -87.661
tors. eta vs tors. theta energy: -190.175
Dist. restrs. and SS energy: 13.301 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -2033.115912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.115912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2058.771442 (E_RNA)
where:
Base-Base interactions energy: -1452.552
where: short stacking energy: -602.920
Base-Backbone interact. energy: 0.082
local terms energy: -606.301533
where:
bonds (distance) C4'-P energy: -119.442
bonds (distance) P-C4' energy: -94.518
flat angles C4'-P-C4' energy: -120.494
flat angles P-C4'-P energy: -91.160
tors. eta vs tors. theta energy: -180.688
Dist. restrs. and SS energy: 25.656 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -1898.420285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1898.420285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1921.113700 (E_RNA)
where:
Base-Base interactions energy: -1349.721
where: short stacking energy: -545.055
Base-Backbone interact. energy: -2.555
local terms energy: -568.837980
where:
bonds (distance) C4'-P energy: -120.312
bonds (distance) P-C4' energy: -118.350
flat angles C4'-P-C4' energy: -122.788
flat angles P-C4'-P energy: -70.270
tors. eta vs tors. theta energy: -137.118
Dist. restrs. and SS energy: 22.693 (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: 8
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -2735.524282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2735.524282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2737.815699 (E_RNA)
where:
Base-Base interactions energy: -1927.052
where: short stacking energy: -804.369
Base-Backbone interact. energy: -1.951
local terms energy: -808.812286
where:
bonds (distance) C4'-P energy: -141.198
bonds (distance) P-C4' energy: -150.466
flat angles C4'-P-C4' energy: -170.096
flat angles P-C4'-P energy: -113.039
tors. eta vs tors. theta energy: -234.015
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: 5
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -2691.470434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2691.470434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2700.340013 (E_RNA)
where:
Base-Base interactions energy: -1870.372
where: short stacking energy: -778.096
Base-Backbone interact. energy: -0.961
local terms energy: -829.006769
where:
bonds (distance) C4'-P energy: -137.511
bonds (distance) P-C4' energy: -165.577
flat angles C4'-P-C4' energy: -173.398
flat angles P-C4'-P energy: -111.139
tors. eta vs tors. theta energy: -241.381
Dist. restrs. and SS energy: 8.870 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -2591.630164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2591.630164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2599.383918 (E_RNA)
where:
Base-Base interactions energy: -1795.095
where: short stacking energy: -778.000
Base-Backbone interact. energy: -2.118
local terms energy: -802.171001
where:
bonds (distance) C4'-P energy: -131.494
bonds (distance) P-C4' energy: -146.365
flat angles C4'-P-C4' energy: -160.598
flat angles P-C4'-P energy: -120.215
tors. eta vs tors. theta energy: -243.499
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: 4, replica: 2
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -2528.271710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2528.271710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2532.020807 (E_RNA)
where:
Base-Base interactions energy: -1764.868
where: short stacking energy: -736.475
Base-Backbone interact. energy: -1.522
local terms energy: -765.630658
where:
bonds (distance) C4'-P energy: -137.867
bonds (distance) P-C4' energy: -142.278
flat angles C4'-P-C4' energy: -153.845
flat angles P-C4'-P energy: -107.231
tors. eta vs tors. theta energy: -224.409
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: 5, replica: 10
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -2421.801415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2421.801415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2428.967318 (E_RNA)
where:
Base-Base interactions energy: -1702.990
where: short stacking energy: -713.165
Base-Backbone interact. energy: -1.694
local terms energy: -724.282979
where:
bonds (distance) C4'-P energy: -113.158
bonds (distance) P-C4' energy: -135.193
flat angles C4'-P-C4' energy: -162.377
flat angles P-C4'-P energy: -98.807
tors. eta vs tors. theta energy: -214.748
Dist. restrs. and SS energy: 7.166 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -2368.364139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2368.364139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2385.421326 (E_RNA)
where:
Base-Base interactions energy: -1655.054
where: short stacking energy: -705.028
Base-Backbone interact. energy: 3.374
local terms energy: -733.741897
where:
bonds (distance) C4'-P energy: -128.284
bonds (distance) P-C4' energy: -139.690
flat angles C4'-P-C4' energy: -165.891
flat angles P-C4'-P energy: -92.984
tors. eta vs tors. theta energy: -206.892
Dist. restrs. and SS energy: 17.057 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -2287.221270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2287.221270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2292.548448 (E_RNA)
where:
Base-Base interactions energy: -1620.622
where: short stacking energy: -683.137
Base-Backbone interact. energy: 0.326
local terms energy: -672.252960
where:
bonds (distance) C4'-P energy: -117.109
bonds (distance) P-C4' energy: -115.632
flat angles C4'-P-C4' energy: -145.645
flat angles P-C4'-P energy: -90.680
tors. eta vs tors. theta energy: -203.187
Dist. restrs. and SS energy: 5.327 (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: 7
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -2152.026375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2152.026375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2178.578650 (E_RNA)
where:
Base-Base interactions energy: -1533.311
where: short stacking energy: -663.734
Base-Backbone interact. energy: 0.448
local terms energy: -645.714809
where:
bonds (distance) C4'-P energy: -125.972
bonds (distance) P-C4' energy: -103.531
flat angles C4'-P-C4' energy: -140.166
flat angles P-C4'-P energy: -77.336
tors. eta vs tors. theta energy: -198.710
Dist. restrs. and SS energy: 26.552 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -2050.102884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2050.102884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2067.859639 (E_RNA)
where:
Base-Base interactions energy: -1450.938
where: short stacking energy: -596.459
Base-Backbone interact. energy: -1.568
local terms energy: -615.353094
where:
bonds (distance) C4'-P energy: -99.409
bonds (distance) P-C4' energy: -126.384
flat angles C4'-P-C4' energy: -138.607
flat angles P-C4'-P energy: -81.281
tors. eta vs tors. theta energy: -169.672
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: 10, replica: 1
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -1916.920775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.920775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.788141 (E_RNA)
where:
Base-Base interactions energy: -1368.339
where: short stacking energy: -574.320
Base-Backbone interact. energy: 2.565
local terms energy: -574.014555
where:
bonds (distance) C4'-P energy: -108.550
bonds (distance) P-C4' energy: -114.483
flat angles C4'-P-C4' energy: -116.386
flat angles P-C4'-P energy: -71.577
tors. eta vs tors. theta energy: -163.018
Dist. restrs. and SS energy: 22.867 (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: 8
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -2739.774626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2739.774626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2743.048998 (E_RNA)
where:
Base-Base interactions energy: -1911.442
where: short stacking energy: -805.564
Base-Backbone interact. energy: 1.305
local terms energy: -832.911580
where:
bonds (distance) C4'-P energy: -146.240
bonds (distance) P-C4' energy: -152.707
flat angles C4'-P-C4' energy: -167.652
flat angles P-C4'-P energy: -120.660
tors. eta vs tors. theta energy: -245.653
Dist. restrs. and SS energy: 3.274 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -2683.221456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2683.221456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2689.611369 (E_RNA)
where:
Base-Base interactions energy: -1870.990
where: short stacking energy: -794.428
Base-Backbone interact. energy: 0.572
local terms energy: -819.193334
where:
bonds (distance) C4'-P energy: -150.419
bonds (distance) P-C4' energy: -143.140
flat angles C4'-P-C4' energy: -169.058
flat angles P-C4'-P energy: -114.433
tors. eta vs tors. theta energy: -242.143
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: 3
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -2633.899631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2633.899631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2640.844533 (E_RNA)
where:
Base-Base interactions energy: -1824.314
where: short stacking energy: -771.229
Base-Backbone interact. energy: -4.555
local terms energy: -811.975927
where:
bonds (distance) C4'-P energy: -148.922
bonds (distance) P-C4' energy: -139.555
flat angles C4'-P-C4' energy: -167.046
flat angles P-C4'-P energy: -110.400
tors. eta vs tors. theta energy: -246.053
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: 4, replica: 2
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -2516.323468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2516.323468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2518.006100 (E_RNA)
where:
Base-Base interactions energy: -1782.906
where: short stacking energy: -759.132
Base-Backbone interact. energy: -0.483
local terms energy: -734.616799
where:
bonds (distance) C4'-P energy: -109.323
bonds (distance) P-C4' energy: -143.522
flat angles C4'-P-C4' energy: -151.588
flat angles P-C4'-P energy: -105.712
tors. eta vs tors. theta energy: -224.472
Dist. restrs. and SS energy: 1.683 (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: 10
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -2453.194046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2453.194046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2460.333263 (E_RNA)
where:
Base-Base interactions energy: -1725.995
where: short stacking energy: -724.209
Base-Backbone interact. energy: 5.589
local terms energy: -739.927535
where:
bonds (distance) C4'-P energy: -119.939
bonds (distance) P-C4' energy: -148.197
flat angles C4'-P-C4' energy: -156.060
flat angles P-C4'-P energy: -85.720
tors. eta vs tors. theta energy: -230.012
Dist. restrs. and SS energy: 7.139 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -2394.641440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2394.641440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2405.832221 (E_RNA)
where:
Base-Base interactions energy: -1669.802
where: short stacking energy: -717.282
Base-Backbone interact. energy: -6.634
local terms energy: -729.397023
where:
bonds (distance) C4'-P energy: -132.960
bonds (distance) P-C4' energy: -132.974
flat angles C4'-P-C4' energy: -157.376
flat angles P-C4'-P energy: -86.597
tors. eta vs tors. theta energy: -219.491
Dist. restrs. and SS energy: 11.191 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -2273.149825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2273.149825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2281.312411 (E_RNA)
where:
Base-Base interactions energy: -1608.407
where: short stacking energy: -660.193
Base-Backbone interact. energy: -3.243
local terms energy: -669.662570
where:
bonds (distance) C4'-P energy: -111.181
bonds (distance) P-C4' energy: -117.146
flat angles C4'-P-C4' energy: -151.528
flat angles P-C4'-P energy: -98.430
tors. eta vs tors. theta energy: -191.378
Dist. restrs. and SS energy: 8.163 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -2201.397019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2201.397019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2221.375596 (E_RNA)
where:
Base-Base interactions energy: -1563.351
where: short stacking energy: -658.177
Base-Backbone interact. energy: 2.493
local terms energy: -660.517829
where:
bonds (distance) C4'-P energy: -115.802
bonds (distance) P-C4' energy: -110.655
flat angles C4'-P-C4' energy: -145.853
flat angles P-C4'-P energy: -94.668
tors. eta vs tors. theta energy: -193.540
Dist. restrs. and SS energy: 19.979 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -2039.116587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2039.116587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2054.873930 (E_RNA)
where:
Base-Base interactions energy: -1473.962
where: short stacking energy: -607.518
Base-Backbone interact. energy: -3.485
local terms energy: -577.427344
where:
bonds (distance) C4'-P energy: -100.387
bonds (distance) P-C4' energy: -111.030
flat angles C4'-P-C4' energy: -127.880
flat angles P-C4'-P energy: -61.261
tors. eta vs tors. theta energy: -176.870
Dist. restrs. and SS energy: 15.757 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -1949.020549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.020549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1974.500476 (E_RNA)
where:
Base-Base interactions energy: -1405.514
where: short stacking energy: -584.616
Base-Backbone interact. energy: -3.537
local terms energy: -565.448969
where:
bonds (distance) C4'-P energy: -110.750
bonds (distance) P-C4' energy: -108.688
flat angles C4'-P-C4' energy: -120.725
flat angles P-C4'-P energy: -71.930
tors. eta vs tors. theta energy: -153.356
Dist. restrs. and SS energy: 25.480 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -2754.074230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2754.074230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2757.745962 (E_RNA)
where:
Base-Base interactions energy: -1923.805
where: short stacking energy: -805.488
Base-Backbone interact. energy: -2.722
local terms energy: -831.218594
where:
bonds (distance) C4'-P energy: -146.417
bonds (distance) P-C4' energy: -154.534
flat angles C4'-P-C4' energy: -166.760
flat angles P-C4'-P energy: -120.900
tors. eta vs tors. theta energy: -242.608
Dist. restrs. and SS energy: 3.672 (S_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: 218
Temperature: 0.950000
Total energy: -2669.539392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2669.539392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2673.841786 (E_RNA)
where:
Base-Base interactions energy: -1880.310
where: short stacking energy: -806.511
Base-Backbone interact. energy: -2.649
local terms energy: -790.882468
where:
bonds (distance) C4'-P energy: -124.510
bonds (distance) P-C4' energy: -144.337
flat angles C4'-P-C4' energy: -163.180
flat angles P-C4'-P energy: -119.759
tors. eta vs tors. theta energy: -239.096
Dist. restrs. and SS energy: 4.302 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -2570.386814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2570.386814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2578.421544 (E_RNA)
where:
Base-Base interactions energy: -1791.759
where: short stacking energy: -759.642
Base-Backbone interact. energy: -2.328
local terms energy: -784.334246
where:
bonds (distance) C4'-P energy: -137.203
bonds (distance) P-C4' energy: -133.524
flat angles C4'-P-C4' energy: -160.211
flat angles P-C4'-P energy: -117.281
tors. eta vs tors. theta energy: -236.115
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: 2
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -2514.726546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2514.726546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2518.369528 (E_RNA)
where:
Base-Base interactions energy: -1736.867
where: short stacking energy: -721.526
Base-Backbone interact. energy: -0.858
local terms energy: -780.644476
where:
bonds (distance) C4'-P energy: -148.471
bonds (distance) P-C4' energy: -154.703
flat angles C4'-P-C4' energy: -155.967
flat angles P-C4'-P energy: -107.997
tors. eta vs tors. theta energy: -213.507
Dist. restrs. and SS energy: 3.643 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -2446.908256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2446.908256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2458.481142 (E_RNA)
where:
Base-Base interactions energy: -1734.516
where: short stacking energy: -726.327
Base-Backbone interact. energy: -2.928
local terms energy: -721.037635
where:
bonds (distance) C4'-P energy: -111.674
bonds (distance) P-C4' energy: -128.078
flat angles C4'-P-C4' energy: -155.840
flat angles P-C4'-P energy: -108.561
tors. eta vs tors. theta energy: -216.884
Dist. restrs. and SS energy: 11.573 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -2421.196939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2421.196939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2428.657786 (E_RNA)
where:
Base-Base interactions energy: -1701.247
where: short stacking energy: -710.500
Base-Backbone interact. energy: 2.891
local terms energy: -730.302283
where:
bonds (distance) C4'-P energy: -121.949
bonds (distance) P-C4' energy: -131.060
flat angles C4'-P-C4' energy: -156.744
flat angles P-C4'-P energy: -105.468
tors. eta vs tors. theta energy: -215.081
Dist. restrs. and SS energy: 7.461 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -2262.440892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2262.440892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2272.664353 (E_RNA)
where:
Base-Base interactions energy: -1580.621
where: short stacking energy: -674.321
Base-Backbone interact. energy: -1.690
local terms energy: -690.353302
where:
bonds (distance) C4'-P energy: -120.460
bonds (distance) P-C4' energy: -122.448
flat angles C4'-P-C4' energy: -160.386
flat angles P-C4'-P energy: -85.022
tors. eta vs tors. theta energy: -202.037
Dist. restrs. and SS energy: 10.223 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -2192.641386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2192.641386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2204.599997 (E_RNA)
where:
Base-Base interactions energy: -1559.401
where: short stacking energy: -647.270
Base-Backbone interact. energy: -3.752
local terms energy: -641.446474
where:
bonds (distance) C4'-P energy: -101.070
bonds (distance) P-C4' energy: -122.712
flat angles C4'-P-C4' energy: -139.901
flat angles P-C4'-P energy: -86.669
tors. eta vs tors. theta energy: -191.093
Dist. restrs. and SS energy: 11.959 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -2045.380060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2045.380060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2059.417332 (E_RNA)
where:
Base-Base interactions energy: -1430.531
where: short stacking energy: -599.670
Base-Backbone interact. energy: 0.169
local terms energy: -629.055248
where:
bonds (distance) C4'-P energy: -107.016
bonds (distance) P-C4' energy: -127.864
flat angles C4'-P-C4' energy: -151.969
flat angles P-C4'-P energy: -68.387
tors. eta vs tors. theta energy: -173.818
Dist. restrs. and SS energy: 14.037 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -1997.339244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1997.339244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2012.854835 (E_RNA)
where:
Base-Base interactions energy: -1396.642
where: short stacking energy: -569.598
Base-Backbone interact. energy: 3.198
local terms energy: -619.411637
where:
bonds (distance) C4'-P energy: -115.774
bonds (distance) P-C4' energy: -120.026
flat angles C4'-P-C4' energy: -119.324
flat angles P-C4'-P energy: -90.254
tors. eta vs tors. theta energy: -174.034
Dist. restrs. and SS energy: 15.516 (S_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: 219
Temperature: 0.900000
Total energy: -2739.416145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2739.416145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2743.118395 (E_RNA)
where:
Base-Base interactions energy: -1939.489
where: short stacking energy: -810.035
Base-Backbone interact. energy: 2.062
local terms energy: -805.691674
where:
bonds (distance) C4'-P energy: -127.201
bonds (distance) P-C4' energy: -147.579
flat angles C4'-P-C4' energy: -172.546
flat angles P-C4'-P energy: -122.561
tors. eta vs tors. theta energy: -235.804
Dist. restrs. and SS energy: 3.702 (S_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: 219
Temperature: 0.950000
Total energy: -2685.624281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2685.624281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2697.519094 (E_RNA)
where:
Base-Base interactions energy: -1872.824
where: short stacking energy: -815.934
Base-Backbone interact. energy: -5.649
local terms energy: -819.045913
where:
bonds (distance) C4'-P energy: -157.908
bonds (distance) P-C4' energy: -142.668
flat angles C4'-P-C4' energy: -174.180
flat angles P-C4'-P energy: -105.752
tors. eta vs tors. theta energy: -238.538
Dist. restrs. and SS energy: 11.895 (S_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: 219
Temperature: 1.000000
Total energy: -2622.973400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2622.973400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2629.714675 (E_RNA)
where:
Base-Base interactions energy: -1825.531
where: short stacking energy: -761.684
Base-Backbone interact. energy: -3.596
local terms energy: -800.587780
where:
bonds (distance) C4'-P energy: -135.896
bonds (distance) P-C4' energy: -151.854
flat angles C4'-P-C4' energy: -175.768
flat angles P-C4'-P energy: -112.151
tors. eta vs tors. theta energy: -224.919
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: 4, replica: 2
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -2534.205748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2534.205748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2537.402944 (E_RNA)
where:
Base-Base interactions energy: -1773.135
where: short stacking energy: -762.909
Base-Backbone interact. energy: -2.447
local terms energy: -761.820854
where:
bonds (distance) C4'-P energy: -124.712
bonds (distance) P-C4' energy: -140.527
flat angles C4'-P-C4' energy: -156.612
flat angles P-C4'-P energy: -106.420
tors. eta vs tors. theta energy: -233.550
Dist. restrs. and SS energy: 3.197 (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: 219
Temperature: 1.100000
Total energy: -2460.129991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2460.129991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2471.066053 (E_RNA)
where:
Base-Base interactions energy: -1724.195
where: short stacking energy: -721.471
Base-Backbone interact. energy: -3.088
local terms energy: -743.783284
where:
bonds (distance) C4'-P energy: -138.416
bonds (distance) P-C4' energy: -118.770
flat angles C4'-P-C4' energy: -156.608
flat angles P-C4'-P energy: -97.653
tors. eta vs tors. theta energy: -232.337
Dist. restrs. and SS energy: 10.936 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -2404.171558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2404.171558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2411.962032 (E_RNA)
where:
Base-Base interactions energy: -1705.897
where: short stacking energy: -750.471
Base-Backbone interact. energy: -3.902
local terms energy: -702.162458
where:
bonds (distance) C4'-P energy: -108.148
bonds (distance) P-C4' energy: -136.892
flat angles C4'-P-C4' energy: -134.049
flat angles P-C4'-P energy: -104.628
tors. eta vs tors. theta energy: -218.445
Dist. restrs. and SS energy: 7.790 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -2311.257487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2311.257487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2316.781377 (E_RNA)
where:
Base-Base interactions energy: -1646.982
where: short stacking energy: -682.826
Base-Backbone interact. energy: -2.664
local terms energy: -667.135688
where:
bonds (distance) C4'-P energy: -127.637
bonds (distance) P-C4' energy: -122.326
flat angles C4'-P-C4' energy: -145.411
flat angles P-C4'-P energy: -75.907
tors. eta vs tors. theta energy: -195.855
Dist. restrs. and SS energy: 5.524 (S_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: 219
Temperature: 1.250000
Total energy: -2171.824004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2171.824004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2188.249696 (E_RNA)
where:
Base-Base interactions energy: -1521.031
where: short stacking energy: -645.997
Base-Backbone interact. energy: -0.205
local terms energy: -667.013319
where:
bonds (distance) C4'-P energy: -109.692
bonds (distance) P-C4' energy: -120.846
flat angles C4'-P-C4' energy: -143.629
flat angles P-C4'-P energy: -93.397
tors. eta vs tors. theta energy: -199.449
Dist. restrs. and SS energy: 16.426 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -2031.461119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2031.461119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2041.052805 (E_RNA)
where:
Base-Base interactions energy: -1413.083
where: short stacking energy: -594.754
Base-Backbone interact. energy: -1.561
local terms energy: -626.408952
where:
bonds (distance) C4'-P energy: -111.384
bonds (distance) P-C4' energy: -128.030
flat angles C4'-P-C4' energy: -113.018
flat angles P-C4'-P energy: -96.454
tors. eta vs tors. theta energy: -177.523
Dist. restrs. and SS energy: 9.592 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -1949.086502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.086502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1962.911279 (E_RNA)
where:
Base-Base interactions energy: -1388.667
where: short stacking energy: -567.816
Base-Backbone interact. energy: -3.251
local terms energy: -570.992492
where:
bonds (distance) C4'-P energy: -107.114
bonds (distance) P-C4' energy: -123.707
flat angles C4'-P-C4' energy: -123.033
flat angles P-C4'-P energy: -69.948
tors. eta vs tors. theta energy: -147.191
Dist. restrs. and SS energy: 13.825 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -2716.040970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2716.040970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2719.959169 (E_RNA)
where:
Base-Base interactions energy: -1916.954
where: short stacking energy: -810.723
Base-Backbone interact. energy: -0.279
local terms energy: -802.726482
where:
bonds (distance) C4'-P energy: -133.677
bonds (distance) P-C4' energy: -146.914
flat angles C4'-P-C4' energy: -177.102
flat angles P-C4'-P energy: -105.371
tors. eta vs tors. theta energy: -239.663
Dist. restrs. and SS energy: 3.918 (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: 3
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -2645.707880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2645.707880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2654.440243 (E_RNA)
where:
Base-Base interactions energy: -1870.336
where: short stacking energy: -777.160
Base-Backbone interact. energy: -0.883
local terms energy: -783.222004
where:
bonds (distance) C4'-P energy: -139.269
bonds (distance) P-C4' energy: -133.863
flat angles C4'-P-C4' energy: -169.685
flat angles P-C4'-P energy: -105.965
tors. eta vs tors. theta energy: -234.439
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: 3, replica: 5
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -2616.609240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2616.609240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2624.805827 (E_RNA)
where:
Base-Base interactions energy: -1835.326
where: short stacking energy: -771.381
Base-Backbone interact. energy: -2.110
local terms energy: -787.369917
where:
bonds (distance) C4'-P energy: -135.324
bonds (distance) P-C4' energy: -150.769
flat angles C4'-P-C4' energy: -157.670
flat angles P-C4'-P energy: -107.971
tors. eta vs tors. theta energy: -235.636
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: 4, replica: 2
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -2556.863971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2556.863971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2562.123298 (E_RNA)
where:
Base-Base interactions energy: -1798.668
where: short stacking energy: -750.061
Base-Backbone interact. energy: 7.266
local terms energy: -770.721552
where:
bonds (distance) C4'-P energy: -132.215
bonds (distance) P-C4' energy: -133.667
flat angles C4'-P-C4' energy: -161.559
flat angles P-C4'-P energy: -112.337
tors. eta vs tors. theta energy: -230.944
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: 5, replica: 10
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -2441.048163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2441.048163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2450.823311 (E_RNA)
where:
Base-Base interactions energy: -1701.120
where: short stacking energy: -721.772
Base-Backbone interact. energy: -4.853
local terms energy: -744.850078
where:
bonds (distance) C4'-P energy: -126.110
bonds (distance) P-C4' energy: -135.355
flat angles C4'-P-C4' energy: -168.182
flat angles P-C4'-P energy: -101.412
tors. eta vs tors. theta energy: -213.792
Dist. restrs. and SS energy: 9.775 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -2372.388828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2372.388828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2383.056698 (E_RNA)
where:
Base-Base interactions energy: -1662.282
where: short stacking energy: -697.932
Base-Backbone interact. energy: 0.969
local terms energy: -721.743917
where:
bonds (distance) C4'-P energy: -129.766
bonds (distance) P-C4' energy: -130.762
flat angles C4'-P-C4' energy: -145.006
flat angles P-C4'-P energy: -107.206
tors. eta vs tors. theta energy: -209.003
Dist. restrs. and SS energy: 10.668 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -2273.643154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2273.643154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2280.187818 (E_RNA)
where:
Base-Base interactions energy: -1594.571
where: short stacking energy: -663.054
Base-Backbone interact. energy: -2.352
local terms energy: -683.264472
where:
bonds (distance) C4'-P energy: -120.662
bonds (distance) P-C4' energy: -130.788
flat angles C4'-P-C4' energy: -146.430
flat angles P-C4'-P energy: -92.456
tors. eta vs tors. theta energy: -192.928
Dist. restrs. and SS energy: 6.545 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -2191.635538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2191.635538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2201.269464 (E_RNA)
where:
Base-Base interactions energy: -1541.724
where: short stacking energy: -630.233
Base-Backbone interact. energy: -2.207
local terms energy: -657.338979
where:
bonds (distance) C4'-P energy: -113.218
bonds (distance) P-C4' energy: -121.815
flat angles C4'-P-C4' energy: -145.681
flat angles P-C4'-P energy: -89.203
tors. eta vs tors. theta energy: -187.421
Dist. restrs. and SS energy: 9.634 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -2015.504996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2015.504996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2029.754043 (E_RNA)
where:
Base-Base interactions energy: -1430.981
where: short stacking energy: -576.330
Base-Backbone interact. energy: 2.273
local terms energy: -601.045681
where:
bonds (distance) C4'-P energy: -135.769
bonds (distance) P-C4' energy: -119.061
flat angles C4'-P-C4' energy: -123.122
flat angles P-C4'-P energy: -75.198
tors. eta vs tors. theta energy: -147.896
Dist. restrs. and SS energy: 14.249 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -1942.717907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.717907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1963.382501 (E_RNA)
where:
Base-Base interactions energy: -1330.075
where: short stacking energy: -577.383
Base-Backbone interact. energy: -2.749
local terms energy: -630.559015
where:
bonds (distance) C4'-P energy: -126.493
bonds (distance) P-C4' energy: -107.632
flat angles C4'-P-C4' energy: -141.790
flat angles P-C4'-P energy: -103.920
tors. eta vs tors. theta energy: -150.724
Dist. restrs. and SS energy: 20.665 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -2733.784876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2733.784876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2738.581450 (E_RNA)
where:
Base-Base interactions energy: -1912.649
where: short stacking energy: -801.479
Base-Backbone interact. energy: -2.338
local terms energy: -823.594272
where:
bonds (distance) C4'-P energy: -145.018
bonds (distance) P-C4' energy: -142.520
flat angles C4'-P-C4' energy: -173.643
flat angles P-C4'-P energy: -125.624
tors. eta vs tors. theta energy: -236.790
Dist. restrs. and SS energy: 4.797 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -2644.398590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2644.398590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2651.039977 (E_RNA)
where:
Base-Base interactions energy: -1848.849
where: short stacking energy: -753.301
Base-Backbone interact. energy: -4.187
local terms energy: -798.003665
where:
bonds (distance) C4'-P energy: -148.221
bonds (distance) P-C4' energy: -150.744
flat angles C4'-P-C4' energy: -161.007
flat angles P-C4'-P energy: -114.170
tors. eta vs tors. theta energy: -223.862
Dist. restrs. and SS energy: 6.641 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -2572.618537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2572.618537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2578.162949 (E_RNA)
where:
Base-Base interactions energy: -1799.846
where: short stacking energy: -760.157
Base-Backbone interact. energy: -3.486
local terms energy: -774.830472
where:
bonds (distance) C4'-P energy: -137.113
bonds (distance) P-C4' energy: -139.086
flat angles C4'-P-C4' energy: -157.013
flat angles P-C4'-P energy: -113.747
tors. eta vs tors. theta energy: -227.872
Dist. restrs. and SS energy: 5.544 (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: 2
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -2499.194356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2499.194356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2503.238739 (E_RNA)
where:
Base-Base interactions energy: -1743.640
where: short stacking energy: -730.854
Base-Backbone interact. energy: 0.990
local terms energy: -760.588594
where:
bonds (distance) C4'-P energy: -141.472
bonds (distance) P-C4' energy: -136.372
flat angles C4'-P-C4' energy: -161.803
flat angles P-C4'-P energy: -97.476
tors. eta vs tors. theta energy: -223.465
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: 5, replica: 10
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -2427.250436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2427.250436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2437.454724 (E_RNA)
where:
Base-Base interactions energy: -1697.556
where: short stacking energy: -727.405
Base-Backbone interact. energy: -1.817
local terms energy: -738.082103
where:
bonds (distance) C4'-P energy: -134.525
bonds (distance) P-C4' energy: -139.059
flat angles C4'-P-C4' energy: -150.184
flat angles P-C4'-P energy: -96.737
tors. eta vs tors. theta energy: -217.577
Dist. restrs. and SS energy: 10.204 (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: 4
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -2390.405192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2390.405192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2398.990345 (E_RNA)
where:
Base-Base interactions energy: -1693.457
where: short stacking energy: -705.655
Base-Backbone interact. energy: -0.324
local terms energy: -705.209163
where:
bonds (distance) C4'-P energy: -129.275
bonds (distance) P-C4' energy: -141.854
flat angles C4'-P-C4' energy: -136.910
flat angles P-C4'-P energy: -97.598
tors. eta vs tors. theta energy: -199.572
Dist. restrs. and SS energy: 8.585 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -2265.868777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2265.868777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2276.730698 (E_RNA)
where:
Base-Base interactions energy: -1592.362
where: short stacking energy: -662.859
Base-Backbone interact. energy: -2.332
local terms energy: -682.036507
where:
bonds (distance) C4'-P energy: -136.111
bonds (distance) P-C4' energy: -122.041
flat angles C4'-P-C4' energy: -136.544
flat angles P-C4'-P energy: -94.212
tors. eta vs tors. theta energy: -193.130
Dist. restrs. and SS energy: 10.862 (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: 7
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -2210.047557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2210.047557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2221.980058 (E_RNA)
where:
Base-Base interactions energy: -1539.579
where: short stacking energy: -653.880
Base-Backbone interact. energy: 2.166
local terms energy: -684.566945
where:
bonds (distance) C4'-P energy: -113.698
bonds (distance) P-C4' energy: -124.732
flat angles C4'-P-C4' energy: -140.567
flat angles P-C4'-P energy: -110.411
tors. eta vs tors. theta energy: -195.159
Dist. restrs. and SS energy: 11.933 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -2030.009027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2030.009027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2043.320868 (E_RNA)
where:
Base-Base interactions energy: -1475.673
where: short stacking energy: -608.356
Base-Backbone interact. energy: 1.443
local terms energy: -569.091146
where:
bonds (distance) C4'-P energy: -75.878
bonds (distance) P-C4' energy: -119.236
flat angles C4'-P-C4' energy: -130.561
flat angles P-C4'-P energy: -76.572
tors. eta vs tors. theta energy: -166.843
Dist. restrs. and SS energy: 13.312 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -1891.389735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1891.389735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.703443 (E_RNA)
where:
Base-Base interactions energy: -1343.881
where: short stacking energy: -545.979
Base-Backbone interact. energy: 7.398
local terms energy: -581.220376
where:
bonds (distance) C4'-P energy: -120.464
bonds (distance) P-C4' energy: -110.410
flat angles C4'-P-C4' energy: -122.434
flat angles P-C4'-P energy: -78.231
tors. eta vs tors. theta energy: -149.682
Dist. restrs. and SS energy: 26.314 (S_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: 222
Temperature: 0.900000
Total energy: -2724.442552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2724.442552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2727.356892 (E_RNA)
where:
Base-Base interactions energy: -1922.121
where: short stacking energy: -811.931
Base-Backbone interact. energy: -3.014
local terms energy: -802.222346
where:
bonds (distance) C4'-P energy: -132.475
bonds (distance) P-C4' energy: -149.503
flat angles C4'-P-C4' energy: -163.793
flat angles P-C4'-P energy: -120.573
tors. eta vs tors. theta energy: -235.878
Dist. restrs. and SS energy: 2.914 (S_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: 222
Temperature: 0.950000
Total energy: -2647.268856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2647.268856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2653.444771 (E_RNA)
where:
Base-Base interactions energy: -1868.117
where: short stacking energy: -793.014
Base-Backbone interact. energy: -2.039
local terms energy: -783.289557
where:
bonds (distance) C4'-P energy: -134.565
bonds (distance) P-C4' energy: -142.679
flat angles C4'-P-C4' energy: -175.939
flat angles P-C4'-P energy: -101.958
tors. eta vs tors. theta energy: -228.150
Dist. restrs. and SS energy: 6.176 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -2602.004893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2602.004893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2609.982863 (E_RNA)
where:
Base-Base interactions energy: -1811.188
where: short stacking energy: -794.097
Base-Backbone interact. energy: -2.094
local terms energy: -796.700570
where:
bonds (distance) C4'-P energy: -152.309
bonds (distance) P-C4' energy: -142.167
flat angles C4'-P-C4' energy: -169.039
flat angles P-C4'-P energy: -105.511
tors. eta vs tors. theta energy: -227.674
Dist. restrs. and SS energy: 7.978 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -2550.887863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2550.887863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2556.984373 (E_RNA)
where:
Base-Base interactions energy: -1810.498
where: short stacking energy: -759.466
Base-Backbone interact. energy: -1.397
local terms energy: -745.089667
where:
bonds (distance) C4'-P energy: -123.826
bonds (distance) P-C4' energy: -123.610
flat angles C4'-P-C4' energy: -153.626
flat angles P-C4'-P energy: -115.093
tors. eta vs tors. theta energy: -228.934
Dist. restrs. and SS energy: 6.097 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -2423.751875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2423.751875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2432.942200 (E_RNA)
where:
Base-Base interactions energy: -1683.209
where: short stacking energy: -715.488
Base-Backbone interact. energy: 0.344
local terms energy: -750.076623
where:
bonds (distance) C4'-P energy: -132.320
bonds (distance) P-C4' energy: -131.777
flat angles C4'-P-C4' energy: -167.490
flat angles P-C4'-P energy: -97.266
tors. eta vs tors. theta energy: -221.223
Dist. restrs. and SS energy: 9.190 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -2356.480206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2356.480206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2367.301923 (E_RNA)
where:
Base-Base interactions energy: -1666.582
where: short stacking energy: -708.167
Base-Backbone interact. energy: 3.363
local terms energy: -704.083528
where:
bonds (distance) C4'-P energy: -109.934
bonds (distance) P-C4' energy: -122.631
flat angles C4'-P-C4' energy: -173.350
flat angles P-C4'-P energy: -89.957
tors. eta vs tors. theta energy: -208.211
Dist. restrs. and SS energy: 10.822 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -2278.179906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2278.179906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2283.334359 (E_RNA)
where:
Base-Base interactions energy: -1631.093
where: short stacking energy: -678.401
Base-Backbone interact. energy: -1.550
local terms energy: -650.690775
where:
bonds (distance) C4'-P energy: -114.851
bonds (distance) P-C4' energy: -103.992
flat angles C4'-P-C4' energy: -153.947
flat angles P-C4'-P energy: -74.836
tors. eta vs tors. theta energy: -203.065
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: 8, replica: 7
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -2181.685944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2181.685944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2194.628431 (E_RNA)
where:
Base-Base interactions energy: -1562.165
where: short stacking energy: -655.744
Base-Backbone interact. energy: 0.387
local terms energy: -632.850644
where:
bonds (distance) C4'-P energy: -118.473
bonds (distance) P-C4' energy: -106.705
flat angles C4'-P-C4' energy: -137.812
flat angles P-C4'-P energy: -86.428
tors. eta vs tors. theta energy: -183.432
Dist. restrs. and SS energy: 12.942 (S_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: 222
Temperature: 1.300000
Total energy: -2062.297226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2062.297226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2075.015899 (E_RNA)
where:
Base-Base interactions energy: -1433.978
where: short stacking energy: -597.756
Base-Backbone interact. energy: 1.030
local terms energy: -642.068513
where:
bonds (distance) C4'-P energy: -115.551
bonds (distance) P-C4' energy: -131.061
flat angles C4'-P-C4' energy: -135.852
flat angles P-C4'-P energy: -93.699
tors. eta vs tors. theta energy: -165.905
Dist. restrs. and SS energy: 12.719 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -1969.448452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1969.448452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1989.094129 (E_RNA)
where:
Base-Base interactions energy: -1382.699
where: short stacking energy: -603.560
Base-Backbone interact. energy: -3.167
local terms energy: -603.228282
where:
bonds (distance) C4'-P energy: -90.183
bonds (distance) P-C4' energy: -122.219
flat angles C4'-P-C4' energy: -135.360
flat angles P-C4'-P energy: -82.568
tors. eta vs tors. theta energy: -172.898
Dist. restrs. and SS energy: 19.646 (S_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: 223
Temperature: 0.900000
Total energy: -2748.131779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2748.131779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2750.108389 (E_RNA)
where:
Base-Base interactions energy: -1912.881
where: short stacking energy: -817.745
Base-Backbone interact. energy: -0.327
local terms energy: -836.900035
where:
bonds (distance) C4'-P energy: -149.643
bonds (distance) P-C4' energy: -142.097
flat angles C4'-P-C4' energy: -174.087
flat angles P-C4'-P energy: -129.526
tors. eta vs tors. theta energy: -241.548
Dist. restrs. and SS energy: 1.977 (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: 5
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -2629.994896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2629.994896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2638.271395 (E_RNA)
where:
Base-Base interactions energy: -1843.620
where: short stacking energy: -783.244
Base-Backbone interact. energy: 5.324
local terms energy: -799.975600
where:
bonds (distance) C4'-P energy: -135.007
bonds (distance) P-C4' energy: -143.504
flat angles C4'-P-C4' energy: -174.868
flat angles P-C4'-P energy: -108.207
tors. eta vs tors. theta energy: -238.390
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: 3, replica: 3
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -2607.208581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2607.208581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2615.478762 (E_RNA)
where:
Base-Base interactions energy: -1803.521
where: short stacking energy: -753.431
Base-Backbone interact. energy: 1.772
local terms energy: -813.729662
where:
bonds (distance) C4'-P energy: -152.756
bonds (distance) P-C4' energy: -152.720
flat angles C4'-P-C4' energy: -168.880
flat angles P-C4'-P energy: -115.113
tors. eta vs tors. theta energy: -224.260
Dist. restrs. and SS energy: 8.270 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -2529.144180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2529.144180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2533.575351 (E_RNA)
where:
Base-Base interactions energy: -1791.940
where: short stacking energy: -740.872
Base-Backbone interact. energy: -0.564
local terms energy: -741.071341
where:
bonds (distance) C4'-P energy: -139.869
bonds (distance) P-C4' energy: -121.155
flat angles C4'-P-C4' energy: -155.550
flat angles P-C4'-P energy: -106.683
tors. eta vs tors. theta energy: -217.815
Dist. restrs. and SS energy: 4.431 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -2429.653717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2429.653717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2439.303901 (E_RNA)
where:
Base-Base interactions energy: -1704.358
where: short stacking energy: -707.776
Base-Backbone interact. energy: 1.401
local terms energy: -736.347507
where:
bonds (distance) C4'-P energy: -135.556
bonds (distance) P-C4' energy: -136.781
flat angles C4'-P-C4' energy: -157.211
flat angles P-C4'-P energy: -101.393
tors. eta vs tors. theta energy: -205.406
Dist. restrs. and SS energy: 9.650 (S_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: 223
Temperature: 1.150000
Total energy: -2382.952595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2382.952595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2393.400173 (E_RNA)
where:
Base-Base interactions energy: -1686.258
where: short stacking energy: -696.637
Base-Backbone interact. energy: -0.120
local terms energy: -707.022947
where:
bonds (distance) C4'-P energy: -124.669
bonds (distance) P-C4' energy: -129.884
flat angles C4'-P-C4' energy: -151.975
flat angles P-C4'-P energy: -91.560
tors. eta vs tors. theta energy: -208.935
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: 9
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -2241.908292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2241.908292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2254.484254 (E_RNA)
where:
Base-Base interactions energy: -1577.441
where: short stacking energy: -696.565
Base-Backbone interact. energy: -2.114
local terms energy: -674.929109
where:
bonds (distance) C4'-P energy: -128.067
bonds (distance) P-C4' energy: -118.121
flat angles C4'-P-C4' energy: -138.128
flat angles P-C4'-P energy: -85.300
tors. eta vs tors. theta energy: -205.313
Dist. restrs. and SS energy: 12.576 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -2221.425794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2221.425794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2241.495554 (E_RNA)
where:
Base-Base interactions energy: -1562.404
where: short stacking energy: -642.140
Base-Backbone interact. energy: -1.650
local terms energy: -677.441347
where:
bonds (distance) C4'-P energy: -125.479
bonds (distance) P-C4' energy: -120.434
flat angles C4'-P-C4' energy: -151.324
flat angles P-C4'-P energy: -88.840
tors. eta vs tors. theta energy: -191.364
Dist. restrs. and SS energy: 20.070 (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: 1
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -2018.653322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.653322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2030.054750 (E_RNA)
where:
Base-Base interactions energy: -1420.352
where: short stacking energy: -591.552
Base-Backbone interact. energy: -2.077
local terms energy: -607.626365
where:
bonds (distance) C4'-P energy: -97.237
bonds (distance) P-C4' energy: -117.989
flat angles C4'-P-C4' energy: -139.611
flat angles P-C4'-P energy: -88.091
tors. eta vs tors. theta energy: -164.698
Dist. restrs. and SS energy: 11.401 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -1923.517307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1923.517307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1944.496836 (E_RNA)
where:
Base-Base interactions energy: -1364.738
where: short stacking energy: -563.509
Base-Backbone interact. energy: 0.777
local terms energy: -580.535708
where:
bonds (distance) C4'-P energy: -125.345
bonds (distance) P-C4' energy: -108.629
flat angles C4'-P-C4' energy: -115.688
flat angles P-C4'-P energy: -71.155
tors. eta vs tors. theta energy: -159.719
Dist. restrs. and SS energy: 20.980 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -2757.297952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2757.297952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2759.710858 (E_RNA)
where:
Base-Base interactions energy: -1927.964
where: short stacking energy: -803.490
Base-Backbone interact. energy: -4.120
local terms energy: -827.626403
where:
bonds (distance) C4'-P energy: -144.027
bonds (distance) P-C4' energy: -143.266
flat angles C4'-P-C4' energy: -172.553
flat angles P-C4'-P energy: -118.886
tors. eta vs tors. theta energy: -248.894
Dist. restrs. and SS energy: 2.413 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -2634.110694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2634.110694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2638.251602 (E_RNA)
where:
Base-Base interactions energy: -1830.132
where: short stacking energy: -746.386
Base-Backbone interact. energy: -3.274
local terms energy: -804.845125
where:
bonds (distance) C4'-P energy: -152.685
bonds (distance) P-C4' energy: -139.432
flat angles C4'-P-C4' energy: -169.288
flat angles P-C4'-P energy: -101.933
tors. eta vs tors. theta energy: -241.507
Dist. restrs. and SS energy: 4.141 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -2601.304468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2601.304468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2608.988676 (E_RNA)
where:
Base-Base interactions energy: -1810.446
where: short stacking energy: -745.624
Base-Backbone interact. energy: -2.809
local terms energy: -795.733028
where:
bonds (distance) C4'-P energy: -131.052
bonds (distance) P-C4' energy: -139.494
flat angles C4'-P-C4' energy: -166.720
flat angles P-C4'-P energy: -128.372
tors. eta vs tors. theta energy: -230.095
Dist. restrs. and SS energy: 7.684 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -2546.465161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2546.465161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2550.740953 (E_RNA)
where:
Base-Base interactions energy: -1769.403
where: short stacking energy: -770.129
Base-Backbone interact. energy: -0.388
local terms energy: -780.949071
where:
bonds (distance) C4'-P energy: -130.371
bonds (distance) P-C4' energy: -145.094
flat angles C4'-P-C4' energy: -164.088
flat angles P-C4'-P energy: -101.249
tors. eta vs tors. theta energy: -240.147
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: 224
Temperature: 1.100000
Total energy: -2474.753213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2474.753213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2481.146589 (E_RNA)
where:
Base-Base interactions energy: -1735.390
where: short stacking energy: -727.905
Base-Backbone interact. energy: -1.924
local terms energy: -743.832477
where:
bonds (distance) C4'-P energy: -124.195
bonds (distance) P-C4' energy: -135.565
flat angles C4'-P-C4' energy: -147.849
flat angles P-C4'-P energy: -110.971
tors. eta vs tors. theta energy: -225.252
Dist. restrs. and SS energy: 6.393 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -2302.276798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2302.276798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2315.598897 (E_RNA)
where:
Base-Base interactions energy: -1597.323
where: short stacking energy: -677.646
Base-Backbone interact. energy: 1.042
local terms energy: -719.318732
where:
bonds (distance) C4'-P energy: -129.849
bonds (distance) P-C4' energy: -123.732
flat angles C4'-P-C4' energy: -148.941
flat angles P-C4'-P energy: -99.942
tors. eta vs tors. theta energy: -216.856
Dist. restrs. and SS energy: 13.322 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -2248.967234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2248.967234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2264.242788 (E_RNA)
where:
Base-Base interactions energy: -1614.246
where: short stacking energy: -673.173
Base-Backbone interact. energy: -4.465
local terms energy: -645.531250
where:
bonds (distance) C4'-P energy: -106.177
bonds (distance) P-C4' energy: -111.839
flat angles C4'-P-C4' energy: -149.158
flat angles P-C4'-P energy: -81.886
tors. eta vs tors. theta energy: -196.470
Dist. restrs. and SS energy: 15.276 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -2141.485533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2141.485533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2151.833038 (E_RNA)
where:
Base-Base interactions energy: -1499.596
where: short stacking energy: -625.694
Base-Backbone interact. energy: -0.776
local terms energy: -651.460938
where:
bonds (distance) C4'-P energy: -132.121
bonds (distance) P-C4' energy: -116.218
flat angles C4'-P-C4' energy: -146.997
flat angles P-C4'-P energy: -86.174
tors. eta vs tors. theta energy: -169.951
Dist. restrs. and SS energy: 10.348 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -2039.847212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2039.847212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2058.372907 (E_RNA)
where:
Base-Base interactions energy: -1410.924
where: short stacking energy: -591.849
Base-Backbone interact. energy: -4.191
local terms energy: -643.258069
where:
bonds (distance) C4'-P energy: -115.385
bonds (distance) P-C4' energy: -118.589
flat angles C4'-P-C4' energy: -142.373
flat angles P-C4'-P energy: -91.336
tors. eta vs tors. theta energy: -175.575
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: 10, replica: 6
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -1990.273012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1990.273012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2005.346169 (E_RNA)
where:
Base-Base interactions energy: -1398.695
where: short stacking energy: -600.497
Base-Backbone interact. energy: 2.306
local terms energy: -608.957269
where:
bonds (distance) C4'-P energy: -95.566
bonds (distance) P-C4' energy: -126.631
flat angles C4'-P-C4' energy: -138.975
flat angles P-C4'-P energy: -79.010
tors. eta vs tors. theta energy: -168.775
Dist. restrs. and SS energy: 15.073 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -2746.734971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2746.734971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2749.467544 (E_RNA)
where:
Base-Base interactions energy: -1966.934
where: short stacking energy: -817.449
Base-Backbone interact. energy: -4.012
local terms energy: -778.521366
where:
bonds (distance) C4'-P energy: -128.206
bonds (distance) P-C4' energy: -132.912
flat angles C4'-P-C4' energy: -162.237
flat angles P-C4'-P energy: -108.417
tors. eta vs tors. theta energy: -246.750
Dist. restrs. and SS energy: 2.733 (S_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: 225
Temperature: 0.950000
Total energy: -2668.217073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2668.217073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2676.409840 (E_RNA)
where:
Base-Base interactions energy: -1868.079
where: short stacking energy: -778.796
Base-Backbone interact. energy: 0.878
local terms energy: -809.208055
where:
bonds (distance) C4'-P energy: -151.779
bonds (distance) P-C4' energy: -149.078
flat angles C4'-P-C4' energy: -166.647
flat angles P-C4'-P energy: -107.942
tors. eta vs tors. theta energy: -233.763
Dist. restrs. and SS energy: 8.193 (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: 3
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -2572.664244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2572.664244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2581.957971 (E_RNA)
where:
Base-Base interactions energy: -1826.614
where: short stacking energy: -770.762
Base-Backbone interact. energy: -2.675
local terms energy: -752.669281
where:
bonds (distance) C4'-P energy: -121.731
bonds (distance) P-C4' energy: -139.228
flat angles C4'-P-C4' energy: -168.787
flat angles P-C4'-P energy: -104.308
tors. eta vs tors. theta energy: -218.614
Dist. restrs. and SS energy: 9.294 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -2566.551909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2566.551909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2574.564274 (E_RNA)
where:
Base-Base interactions energy: -1814.058
where: short stacking energy: -783.604
Base-Backbone interact. energy: -1.950
local terms energy: -758.556044
where:
bonds (distance) C4'-P energy: -135.643
bonds (distance) P-C4' energy: -127.222
flat angles C4'-P-C4' energy: -154.969
flat angles P-C4'-P energy: -106.846
tors. eta vs tors. theta energy: -233.877
Dist. restrs. and SS energy: 8.012 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -2432.411886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2432.411886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2441.074842 (E_RNA)
where:
Base-Base interactions energy: -1743.550
where: short stacking energy: -735.642
Base-Backbone interact. energy: -2.307
local terms energy: -695.218530
where:
bonds (distance) C4'-P energy: -118.867
bonds (distance) P-C4' energy: -127.921
flat angles C4'-P-C4' energy: -148.718
flat angles P-C4'-P energy: -95.702
tors. eta vs tors. theta energy: -204.011
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: 6, replica: 7
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -2313.880218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2313.880218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2326.580890 (E_RNA)
where:
Base-Base interactions energy: -1645.804
where: short stacking energy: -683.333
Base-Backbone interact. energy: -0.396
local terms energy: -680.380741
where:
bonds (distance) C4'-P energy: -115.769
bonds (distance) P-C4' energy: -117.842
flat angles C4'-P-C4' energy: -154.335
flat angles P-C4'-P energy: -93.779
tors. eta vs tors. theta energy: -198.655
Dist. restrs. and SS energy: 12.701 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -2252.877693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2252.877693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2267.035600 (E_RNA)
where:
Base-Base interactions energy: -1577.191
where: short stacking energy: -670.001
Base-Backbone interact. energy: -4.344
local terms energy: -685.500170
where:
bonds (distance) C4'-P energy: -124.791
bonds (distance) P-C4' energy: -110.000
flat angles C4'-P-C4' energy: -146.508
flat angles P-C4'-P energy: -95.902
tors. eta vs tors. theta energy: -208.298
Dist. restrs. and SS energy: 14.158 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -2189.667294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2189.667294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2197.523920 (E_RNA)
where:
Base-Base interactions energy: -1546.795
where: short stacking energy: -637.667
Base-Backbone interact. energy: -0.933
local terms energy: -649.795878
where:
bonds (distance) C4'-P energy: -114.082
bonds (distance) P-C4' energy: -128.713
flat angles C4'-P-C4' energy: -138.981
flat angles P-C4'-P energy: -77.819
tors. eta vs tors. theta energy: -190.200
Dist. restrs. and SS energy: 7.857 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -2039.664285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2039.664285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2052.500494 (E_RNA)
where:
Base-Base interactions energy: -1444.227
where: short stacking energy: -574.695
Base-Backbone interact. energy: -4.984
local terms energy: -603.289593
where:
bonds (distance) C4'-P energy: -127.652
bonds (distance) P-C4' energy: -107.239
flat angles C4'-P-C4' energy: -127.560
flat angles P-C4'-P energy: -80.417
tors. eta vs tors. theta energy: -160.421
Dist. restrs. and SS energy: 12.836 (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: 6
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -1959.889437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.889437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1979.657341 (E_RNA)
where:
Base-Base interactions energy: -1406.987
where: short stacking energy: -603.999
Base-Backbone interact. energy: 1.691
local terms energy: -574.362092
where:
bonds (distance) C4'-P energy: -104.400
bonds (distance) P-C4' energy: -106.271
flat angles C4'-P-C4' energy: -130.243
flat angles P-C4'-P energy: -78.235
tors. eta vs tors. theta energy: -155.214
Dist. restrs. and SS energy: 19.768 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -2753.819114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2753.819114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2757.471431 (E_RNA)
where:
Base-Base interactions energy: -1921.395
where: short stacking energy: -815.583
Base-Backbone interact. energy: 0.262
local terms energy: -836.337798
where:
bonds (distance) C4'-P energy: -153.412
bonds (distance) P-C4' energy: -146.286
flat angles C4'-P-C4' energy: -177.922
flat angles P-C4'-P energy: -118.736
tors. eta vs tors. theta energy: -239.982
Dist. restrs. and SS energy: 3.652 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -2682.649906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2682.649906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2689.205464 (E_RNA)
where:
Base-Base interactions energy: -1896.394
where: short stacking energy: -787.192
Base-Backbone interact. energy: -1.258
local terms energy: -791.553731
where:
bonds (distance) C4'-P energy: -129.913
bonds (distance) P-C4' energy: -138.012
flat angles C4'-P-C4' energy: -168.488
flat angles P-C4'-P energy: -125.648
tors. eta vs tors. theta energy: -229.494
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: 3, replica: 3
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -2571.138741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2571.138741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2579.839367 (E_RNA)
where:
Base-Base interactions energy: -1804.633
where: short stacking energy: -757.537
Base-Backbone interact. energy: -3.389
local terms energy: -771.817360
where:
bonds (distance) C4'-P energy: -127.863
bonds (distance) P-C4' energy: -141.678
flat angles C4'-P-C4' energy: -163.637
flat angles P-C4'-P energy: -112.947
tors. eta vs tors. theta energy: -225.692
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: 4, replica: 2
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -2559.593215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2559.593215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2563.412174 (E_RNA)
where:
Base-Base interactions energy: -1801.631
where: short stacking energy: -750.731
Base-Backbone interact. energy: -1.900
local terms energy: -759.881427
where:
bonds (distance) C4'-P energy: -127.932
bonds (distance) P-C4' energy: -126.437
flat angles C4'-P-C4' energy: -163.065
flat angles P-C4'-P energy: -95.018
tors. eta vs tors. theta energy: -247.429
Dist. restrs. and SS energy: 3.819 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -2408.213108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2408.213108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2413.088211 (E_RNA)
where:
Base-Base interactions energy: -1690.811
where: short stacking energy: -722.790
Base-Backbone interact. energy: -0.374
local terms energy: -721.903944
where:
bonds (distance) C4'-P energy: -119.333
bonds (distance) P-C4' energy: -145.027
flat angles C4'-P-C4' energy: -161.578
flat angles P-C4'-P energy: -80.004
tors. eta vs tors. theta energy: -215.962
Dist. restrs. and SS energy: 4.875 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -2335.093549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2335.093549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2349.886524 (E_RNA)
where:
Base-Base interactions energy: -1630.816
where: short stacking energy: -687.526
Base-Backbone interact. energy: -1.211
local terms energy: -717.859062
where:
bonds (distance) C4'-P energy: -125.391
bonds (distance) P-C4' energy: -129.379
flat angles C4'-P-C4' energy: -159.331
flat angles P-C4'-P energy: -109.331
tors. eta vs tors. theta energy: -194.428
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: 7, replica: 4
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -2263.872735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2263.872735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2276.194669 (E_RNA)
where:
Base-Base interactions energy: -1579.099
where: short stacking energy: -662.456
Base-Backbone interact. energy: -0.425
local terms energy: -696.671543
where:
bonds (distance) C4'-P energy: -117.689
bonds (distance) P-C4' energy: -120.722
flat angles C4'-P-C4' energy: -162.178
flat angles P-C4'-P energy: -87.016
tors. eta vs tors. theta energy: -209.067
Dist. restrs. and SS energy: 12.322 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -2204.730528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2204.730528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2215.370827 (E_RNA)
where:
Base-Base interactions energy: -1553.609
where: short stacking energy: -645.325
Base-Backbone interact. energy: -1.968
local terms energy: -659.793561
where:
bonds (distance) C4'-P energy: -143.709
bonds (distance) P-C4' energy: -106.618
flat angles C4'-P-C4' energy: -143.139
flat angles P-C4'-P energy: -67.536
tors. eta vs tors. theta energy: -198.792
Dist. restrs. and SS energy: 10.640 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -2018.362083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.362083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2031.929408 (E_RNA)
where:
Base-Base interactions energy: -1466.928
where: short stacking energy: -587.782
Base-Backbone interact. energy: 2.034
local terms energy: -567.035660
where:
bonds (distance) C4'-P energy: -91.978
bonds (distance) P-C4' energy: -109.885
flat angles C4'-P-C4' energy: -137.933
flat angles P-C4'-P energy: -71.788
tors. eta vs tors. theta energy: -155.452
Dist. restrs. and SS energy: 13.567 (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: 6
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -1903.684382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1903.684382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.765795 (E_RNA)
where:
Base-Base interactions energy: -1351.215
where: short stacking energy: -558.388
Base-Backbone interact. energy: -4.036
local terms energy: -576.514353
where:
bonds (distance) C4'-P energy: -111.541
bonds (distance) P-C4' energy: -111.048
flat angles C4'-P-C4' energy: -126.113
flat angles P-C4'-P energy: -73.926
tors. eta vs tors. theta energy: -153.886
Dist. restrs. and SS energy: 28.081 (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: 8
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -2738.875024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2738.875024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2742.030811 (E_RNA)
where:
Base-Base interactions energy: -1907.033
where: short stacking energy: -820.233
Base-Backbone interact. energy: -4.629
local terms energy: -830.368650
where:
bonds (distance) C4'-P energy: -139.021
bonds (distance) P-C4' energy: -142.044
flat angles C4'-P-C4' energy: -189.797
flat angles P-C4'-P energy: -118.074
tors. eta vs tors. theta energy: -241.432
Dist. restrs. and SS energy: 3.156 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -2696.660375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2696.660375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2701.048257 (E_RNA)
where:
Base-Base interactions energy: -1914.964
where: short stacking energy: -821.568
Base-Backbone interact. energy: -1.327
local terms energy: -784.757482
where:
bonds (distance) C4'-P energy: -132.971
bonds (distance) P-C4' energy: -143.567
flat angles C4'-P-C4' energy: -159.039
flat angles P-C4'-P energy: -114.576
tors. eta vs tors. theta energy: -234.603
Dist. restrs. and SS energy: 4.388 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -2577.828571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2577.828571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2587.273586 (E_RNA)
where:
Base-Base interactions energy: -1794.164
where: short stacking energy: -763.012
Base-Backbone interact. energy: 1.952
local terms energy: -795.062075
where:
bonds (distance) C4'-P energy: -139.296
bonds (distance) P-C4' energy: -137.237
flat angles C4'-P-C4' energy: -169.274
flat angles P-C4'-P energy: -124.048
tors. eta vs tors. theta energy: -225.208
Dist. restrs. and SS energy: 9.445 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -2570.282292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2570.282292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2577.024792 (E_RNA)
where:
Base-Base interactions energy: -1794.778
where: short stacking energy: -751.356
Base-Backbone interact. energy: -3.159
local terms energy: -779.087611
where:
bonds (distance) C4'-P energy: -146.498
bonds (distance) P-C4' energy: -129.882
flat angles C4'-P-C4' energy: -162.981
flat angles P-C4'-P energy: -108.917
tors. eta vs tors. theta energy: -230.810
Dist. restrs. and SS energy: 6.742 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -2389.418438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2389.418438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2397.271119 (E_RNA)
where:
Base-Base interactions energy: -1653.642
where: short stacking energy: -677.788
Base-Backbone interact. energy: -3.022
local terms energy: -740.606851
where:
bonds (distance) C4'-P energy: -139.903
bonds (distance) P-C4' energy: -137.673
flat angles C4'-P-C4' energy: -151.327
flat angles P-C4'-P energy: -101.364
tors. eta vs tors. theta energy: -210.340
Dist. restrs. and SS energy: 7.853 (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: 4
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -2363.410069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2363.410069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2377.784404 (E_RNA)
where:
Base-Base interactions energy: -1647.758
where: short stacking energy: -678.716
Base-Backbone interact. energy: 0.067
local terms energy: -730.092664
where:
bonds (distance) C4'-P energy: -116.364
bonds (distance) P-C4' energy: -140.046
flat angles C4'-P-C4' energy: -161.193
flat angles P-C4'-P energy: -108.864
tors. eta vs tors. theta energy: -203.625
Dist. restrs. and SS energy: 14.374 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -2271.188515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2271.188515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2285.812227 (E_RNA)
where:
Base-Base interactions energy: -1594.020
where: short stacking energy: -666.606
Base-Backbone interact. energy: 4.068
local terms energy: -695.860686
where:
bonds (distance) C4'-P energy: -120.469
bonds (distance) P-C4' energy: -128.741
flat angles C4'-P-C4' energy: -152.415
flat angles P-C4'-P energy: -101.081
tors. eta vs tors. theta energy: -193.155
Dist. restrs. and SS energy: 14.624 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -2085.050756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2085.050756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2097.019292 (E_RNA)
where:
Base-Base interactions energy: -1467.735
where: short stacking energy: -611.993
Base-Backbone interact. energy: -2.157
local terms energy: -627.126583
where:
bonds (distance) C4'-P energy: -121.002
bonds (distance) P-C4' energy: -129.841
flat angles C4'-P-C4' energy: -129.239
flat angles P-C4'-P energy: -86.592
tors. eta vs tors. theta energy: -160.452
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: 9, replica: 9
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -2124.405545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2124.405545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2134.729730 (E_RNA)
where:
Base-Base interactions energy: -1461.631
where: short stacking energy: -602.721
Base-Backbone interact. energy: -1.302
local terms energy: -671.796733
where:
bonds (distance) C4'-P energy: -135.254
bonds (distance) P-C4' energy: -131.691
flat angles C4'-P-C4' energy: -138.444
flat angles P-C4'-P energy: -97.039
tors. eta vs tors. theta energy: -169.369
Dist. restrs. and SS energy: 10.324 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -1893.141167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.141167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1913.000377 (E_RNA)
where:
Base-Base interactions energy: -1364.493
where: short stacking energy: -542.489
Base-Backbone interact. energy: 8.235
local terms energy: -556.742157
where:
bonds (distance) C4'-P energy: -89.207
bonds (distance) P-C4' energy: -103.127
flat angles C4'-P-C4' energy: -135.982
flat angles P-C4'-P energy: -68.414
tors. eta vs tors. theta energy: -160.012
Dist. restrs. and SS energy: 19.859 (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: 8
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -2745.497333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2745.497333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2748.982064 (E_RNA)
where:
Base-Base interactions energy: -1896.865
where: short stacking energy: -810.802
Base-Backbone interact. energy: -3.346
local terms energy: -848.771265
where:
bonds (distance) C4'-P energy: -156.621
bonds (distance) P-C4' energy: -144.661
flat angles C4'-P-C4' energy: -171.139
flat angles P-C4'-P energy: -123.643
tors. eta vs tors. theta energy: -252.707
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: 2, replica: 5
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -2692.667921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2692.667921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2697.747295 (E_RNA)
where:
Base-Base interactions energy: -1900.663
where: short stacking energy: -802.920
Base-Backbone interact. energy: 1.410
local terms energy: -798.494538
where:
bonds (distance) C4'-P energy: -142.171
bonds (distance) P-C4' energy: -143.817
flat angles C4'-P-C4' energy: -155.173
flat angles P-C4'-P energy: -122.050
tors. eta vs tors. theta energy: -235.284
Dist. restrs. and SS energy: 5.079 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -2560.816702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2560.816702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2569.259142 (E_RNA)
where:
Base-Base interactions energy: -1804.075
where: short stacking energy: -739.495
Base-Backbone interact. energy: -2.778
local terms energy: -762.406536
where:
bonds (distance) C4'-P energy: -147.863
bonds (distance) P-C4' energy: -130.745
flat angles C4'-P-C4' energy: -157.825
flat angles P-C4'-P energy: -105.977
tors. eta vs tors. theta energy: -219.997
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: 4, replica: 2
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -2560.134588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2560.134588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2562.671780 (E_RNA)
where:
Base-Base interactions energy: -1793.590
where: short stacking energy: -728.200
Base-Backbone interact. energy: -0.186
local terms energy: -768.895076
where:
bonds (distance) C4'-P energy: -133.456
bonds (distance) P-C4' energy: -142.527
flat angles C4'-P-C4' energy: -162.356
flat angles P-C4'-P energy: -106.383
tors. eta vs tors. theta energy: -224.173
Dist. restrs. and SS energy: 2.537 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -2385.730223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2385.730223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2396.217177 (E_RNA)
where:
Base-Base interactions energy: -1663.506
where: short stacking energy: -692.071
Base-Backbone interact. energy: -0.777
local terms energy: -731.934117
where:
bonds (distance) C4'-P energy: -137.655
bonds (distance) P-C4' energy: -111.160
flat angles C4'-P-C4' energy: -163.344
flat angles P-C4'-P energy: -113.584
tors. eta vs tors. theta energy: -206.190
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: 6, replica: 10
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -2376.829212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2376.829212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2391.009033 (E_RNA)
where:
Base-Base interactions energy: -1679.456
where: short stacking energy: -728.271
Base-Backbone interact. energy: 2.142
local terms energy: -713.694482
where:
bonds (distance) C4'-P energy: -136.251
bonds (distance) P-C4' energy: -121.909
flat angles C4'-P-C4' energy: -162.699
flat angles P-C4'-P energy: -86.157
tors. eta vs tors. theta energy: -206.678
Dist. restrs. and SS energy: 14.180 (S_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: 228
Temperature: 1.200000
Total energy: -2259.552391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2259.552391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2271.603908 (E_RNA)
where:
Base-Base interactions energy: -1593.674
where: short stacking energy: -649.875
Base-Backbone interact. energy: -2.347
local terms energy: -675.583429
where:
bonds (distance) C4'-P energy: -124.403
bonds (distance) P-C4' energy: -117.901
flat angles C4'-P-C4' energy: -143.721
flat angles P-C4'-P energy: -95.666
tors. eta vs tors. theta energy: -193.892
Dist. restrs. and SS energy: 12.052 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -2079.278159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2079.278159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2094.722677 (E_RNA)
where:
Base-Base interactions energy: -1472.703
where: short stacking energy: -612.387
Base-Backbone interact. energy: 1.968
local terms energy: -623.988072
where:
bonds (distance) C4'-P energy: -103.691
bonds (distance) P-C4' energy: -111.750
flat angles C4'-P-C4' energy: -152.320
flat angles P-C4'-P energy: -88.602
tors. eta vs tors. theta energy: -167.625
Dist. restrs. and SS energy: 15.445 (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: 9
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -2134.046868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2134.046868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2145.599704 (E_RNA)
where:
Base-Base interactions energy: -1519.486
where: short stacking energy: -624.193
Base-Backbone interact. energy: -2.715
local terms energy: -623.398792
where:
bonds (distance) C4'-P energy: -107.286
bonds (distance) P-C4' energy: -118.374
flat angles C4'-P-C4' energy: -128.242
flat angles P-C4'-P energy: -84.243
tors. eta vs tors. theta energy: -185.255
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: 10, replica: 6
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -1923.134451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1923.134451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.050971 (E_RNA)
where:
Base-Base interactions energy: -1405.606
where: short stacking energy: -558.622
Base-Backbone interact. energy: -3.098
local terms energy: -534.346856
where:
bonds (distance) C4'-P energy: -92.981
bonds (distance) P-C4' energy: -95.732
flat angles C4'-P-C4' energy: -121.558
flat angles P-C4'-P energy: -81.946
tors. eta vs tors. theta energy: -142.130
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: 1, replica: 8
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -2740.134761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2740.134761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2743.886592 (E_RNA)
where:
Base-Base interactions energy: -1909.778
where: short stacking energy: -850.679
Base-Backbone interact. energy: -1.732
local terms energy: -832.376033
where:
bonds (distance) C4'-P energy: -140.345
bonds (distance) P-C4' energy: -151.091
flat angles C4'-P-C4' energy: -174.925
flat angles P-C4'-P energy: -113.956
tors. eta vs tors. theta energy: -252.059
Dist. restrs. and SS energy: 3.752 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -2660.339838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2660.339838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2668.210498 (E_RNA)
where:
Base-Base interactions energy: -1876.181
where: short stacking energy: -816.916
Base-Backbone interact. energy: -2.592
local terms energy: -789.438122
where:
bonds (distance) C4'-P energy: -114.539
bonds (distance) P-C4' energy: -153.274
flat angles C4'-P-C4' energy: -171.379
flat angles P-C4'-P energy: -109.551
tors. eta vs tors. theta energy: -240.695
Dist. restrs. and SS energy: 7.871 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -2577.975251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2577.975251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2585.147258 (E_RNA)
where:
Base-Base interactions energy: -1821.325
where: short stacking energy: -768.498
Base-Backbone interact. energy: -2.917
local terms energy: -760.904874
where:
bonds (distance) C4'-P energy: -134.751
bonds (distance) P-C4' energy: -127.734
flat angles C4'-P-C4' energy: -164.167
flat angles P-C4'-P energy: -104.336
tors. eta vs tors. theta energy: -229.916
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: 4, replica: 2
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -2598.769016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2598.769016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2600.278290 (E_RNA)
where:
Base-Base interactions energy: -1835.547
where: short stacking energy: -766.971
Base-Backbone interact. energy: -1.813
local terms energy: -762.918644
where:
bonds (distance) C4'-P energy: -141.297
bonds (distance) P-C4' energy: -120.668
flat angles C4'-P-C4' energy: -162.348
flat angles P-C4'-P energy: -112.005
tors. eta vs tors. theta energy: -226.601
Dist. restrs. and SS energy: 1.509 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -2421.201781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2421.201781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2431.705216 (E_RNA)
where:
Base-Base interactions energy: -1716.894
where: short stacking energy: -712.844
Base-Backbone interact. energy: -1.944
local terms energy: -712.866651
where:
bonds (distance) C4'-P energy: -118.706
bonds (distance) P-C4' energy: -124.240
flat angles C4'-P-C4' energy: -156.690
flat angles P-C4'-P energy: -104.883
tors. eta vs tors. theta energy: -208.347
Dist. restrs. and SS energy: 10.503 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -2352.724850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2352.724850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2363.455931 (E_RNA)
where:
Base-Base interactions energy: -1641.178
where: short stacking energy: -685.749
Base-Backbone interact. energy: 0.064
local terms energy: -722.342256
where:
bonds (distance) C4'-P energy: -136.929
bonds (distance) P-C4' energy: -119.694
flat angles C4'-P-C4' energy: -148.269
flat angles P-C4'-P energy: -102.947
tors. eta vs tors. theta energy: -214.503
Dist. restrs. and SS energy: 10.731 (S_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: 229
Temperature: 1.200000
Total energy: -2258.050115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2258.050115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2267.710300 (E_RNA)
where:
Base-Base interactions energy: -1559.854
where: short stacking energy: -673.558
Base-Backbone interact. energy: 1.466
local terms energy: -709.322184
where:
bonds (distance) C4'-P energy: -123.432
bonds (distance) P-C4' energy: -128.474
flat angles C4'-P-C4' energy: -151.126
flat angles P-C4'-P energy: -109.976
tors. eta vs tors. theta energy: -196.313
Dist. restrs. and SS energy: 9.660 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -2173.025080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2173.025080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2185.702323 (E_RNA)
where:
Base-Base interactions energy: -1545.601
where: short stacking energy: -655.296
Base-Backbone interact. energy: 0.134
local terms energy: -640.234850
where:
bonds (distance) C4'-P energy: -110.441
bonds (distance) P-C4' energy: -112.933
flat angles C4'-P-C4' energy: -134.031
flat angles P-C4'-P energy: -89.645
tors. eta vs tors. theta energy: -193.184
Dist. restrs. and SS energy: 12.677 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -2015.760784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2015.760784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2027.443965 (E_RNA)
where:
Base-Base interactions energy: -1414.826
where: short stacking energy: -566.491
Base-Backbone interact. energy: 1.184
local terms energy: -613.801212
where:
bonds (distance) C4'-P energy: -112.784
bonds (distance) P-C4' energy: -111.153
flat angles C4'-P-C4' energy: -127.321
flat angles P-C4'-P energy: -91.191
tors. eta vs tors. theta energy: -171.352
Dist. restrs. and SS energy: 11.683 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -1899.734839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1899.734839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.354706 (E_RNA)
where:
Base-Base interactions energy: -1360.476
where: short stacking energy: -543.758
Base-Backbone interact. energy: -1.603
local terms energy: -550.275302
where:
bonds (distance) C4'-P energy: -98.779
bonds (distance) P-C4' energy: -118.637
flat angles C4'-P-C4' energy: -130.514
flat angles P-C4'-P energy: -64.487
tors. eta vs tors. theta energy: -137.857
Dist. restrs. and SS energy: 12.620 (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: 8
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -2755.968307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2755.968307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2758.158333 (E_RNA)
where:
Base-Base interactions energy: -1917.029
where: short stacking energy: -813.080
Base-Backbone interact. energy: -4.460
local terms energy: -836.669712
where:
bonds (distance) C4'-P energy: -137.970
bonds (distance) P-C4' energy: -158.310
flat angles C4'-P-C4' energy: -183.107
flat angles P-C4'-P energy: -115.810
tors. eta vs tors. theta energy: -241.473
Dist. restrs. and SS energy: 2.190 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -2678.606854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2678.606854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2685.127923 (E_RNA)
where:
Base-Base interactions energy: -1909.361
where: short stacking energy: -773.327
Base-Backbone interact. energy: 3.804
local terms energy: -779.570239
where:
bonds (distance) C4'-P energy: -125.343
bonds (distance) P-C4' energy: -140.947
flat angles C4'-P-C4' energy: -160.926
flat angles P-C4'-P energy: -116.347
tors. eta vs tors. theta energy: -236.007
Dist. restrs. and SS energy: 6.521 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -2579.499602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2579.499602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2588.201454 (E_RNA)
where:
Base-Base interactions energy: -1798.968
where: short stacking energy: -784.255
Base-Backbone interact. energy: -5.852
local terms energy: -783.381357
where:
bonds (distance) C4'-P energy: -126.625
bonds (distance) P-C4' energy: -138.384
flat angles C4'-P-C4' energy: -172.518
flat angles P-C4'-P energy: -115.285
tors. eta vs tors. theta energy: -230.569
Dist. restrs. and SS energy: 8.702 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -2571.283782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2571.283782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2575.029698 (E_RNA)
where:
Base-Base interactions energy: -1804.010
where: short stacking energy: -748.073
Base-Backbone interact. energy: -4.042
local terms energy: -766.977395
where:
bonds (distance) C4'-P energy: -114.309
bonds (distance) P-C4' energy: -136.930
flat angles C4'-P-C4' energy: -160.674
flat angles P-C4'-P energy: -117.647
tors. eta vs tors. theta energy: -237.417
Dist. restrs. and SS energy: 3.746 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -2435.135891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2435.135891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2444.668890 (E_RNA)
where:
Base-Base interactions energy: -1706.743
where: short stacking energy: -703.224
Base-Backbone interact. energy: -1.344
local terms energy: -736.582083
where:
bonds (distance) C4'-P energy: -123.175
bonds (distance) P-C4' energy: -133.408
flat angles C4'-P-C4' energy: -172.046
flat angles P-C4'-P energy: -106.280
tors. eta vs tors. theta energy: -201.674
Dist. restrs. and SS energy: 9.533 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -2331.843526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2331.843526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2341.348985 (E_RNA)
where:
Base-Base interactions energy: -1626.233
where: short stacking energy: -689.559
Base-Backbone interact. energy: -2.226
local terms energy: -712.889921
where:
bonds (distance) C4'-P energy: -120.241
bonds (distance) P-C4' energy: -130.868
flat angles C4'-P-C4' energy: -153.996
flat angles P-C4'-P energy: -109.498
tors. eta vs tors. theta energy: -198.287
Dist. restrs. and SS energy: 9.505 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -2235.583109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2235.583109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2249.525115 (E_RNA)
where:
Base-Base interactions energy: -1540.441
where: short stacking energy: -650.397
Base-Backbone interact. energy: -0.590
local terms energy: -708.493786
where:
bonds (distance) C4'-P energy: -139.446
bonds (distance) P-C4' energy: -133.207
flat angles C4'-P-C4' energy: -150.919
flat angles P-C4'-P energy: -104.104
tors. eta vs tors. theta energy: -180.818
Dist. restrs. and SS energy: 13.942 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -2166.560371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2166.560371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2179.872095 (E_RNA)
where:
Base-Base interactions energy: -1543.263
where: short stacking energy: -644.036
Base-Backbone interact. energy: -3.056
local terms energy: -633.553123
where:
bonds (distance) C4'-P energy: -105.930
bonds (distance) P-C4' energy: -110.048
flat angles C4'-P-C4' energy: -143.126
flat angles P-C4'-P energy: -98.329
tors. eta vs tors. theta energy: -176.119
Dist. restrs. and SS energy: 13.312 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -1992.037954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1992.037954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.989351 (E_RNA)
where:
Base-Base interactions energy: -1369.038
where: short stacking energy: -534.990
Base-Backbone interact. energy: -2.949
local terms energy: -635.002223
where:
bonds (distance) C4'-P energy: -125.558
bonds (distance) P-C4' energy: -123.807
flat angles C4'-P-C4' energy: -138.597
flat angles P-C4'-P energy: -81.273
tors. eta vs tors. theta energy: -165.767
Dist. restrs. and SS energy: 14.951 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -1917.086231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.086231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1947.278926 (E_RNA)
where:
Base-Base interactions energy: -1377.595
where: short stacking energy: -590.058
Base-Backbone interact. energy: 1.353
local terms energy: -571.036408
where:
bonds (distance) C4'-P energy: -117.554
bonds (distance) P-C4' energy: -100.425
flat angles C4'-P-C4' energy: -122.961
flat angles P-C4'-P energy: -79.587
tors. eta vs tors. theta energy: -150.509
Dist. restrs. and SS energy: 30.193 (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: 8
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -2755.469781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2755.469781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2758.638085 (E_RNA)
where:
Base-Base interactions energy: -1932.779
where: short stacking energy: -807.336
Base-Backbone interact. energy: 0.891
local terms energy: -826.749744
where:
bonds (distance) C4'-P energy: -136.787
bonds (distance) P-C4' energy: -163.263
flat angles C4'-P-C4' energy: -171.036
flat angles P-C4'-P energy: -108.316
tors. eta vs tors. theta energy: -247.347
Dist. restrs. and SS energy: 3.168 (S_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: 231
Temperature: 0.950000
Total energy: -2688.784975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2688.784975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2694.070007 (E_RNA)
where:
Base-Base interactions energy: -1881.433
where: short stacking energy: -769.216
Base-Backbone interact. energy: -5.359
local terms energy: -807.278636
where:
bonds (distance) C4'-P energy: -143.779
bonds (distance) P-C4' energy: -136.848
flat angles C4'-P-C4' energy: -173.131
flat angles P-C4'-P energy: -118.753
tors. eta vs tors. theta energy: -234.768
Dist. restrs. and SS energy: 5.285 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -2640.289455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2640.289455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2646.326277 (E_RNA)
where:
Base-Base interactions energy: -1884.234
where: short stacking energy: -793.711
Base-Backbone interact. energy: -2.055
local terms energy: -760.037654
where:
bonds (distance) C4'-P energy: -130.452
bonds (distance) P-C4' energy: -140.668
flat angles C4'-P-C4' energy: -156.483
flat angles P-C4'-P energy: -99.741
tors. eta vs tors. theta energy: -232.695
Dist. restrs. and SS energy: 6.037 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -2454.221137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2454.221137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2464.487292 (E_RNA)
where:
Base-Base interactions energy: -1716.415
where: short stacking energy: -757.115
Base-Backbone interact. energy: -4.327
local terms energy: -743.744637
where:
bonds (distance) C4'-P energy: -127.449
bonds (distance) P-C4' energy: -124.339
flat angles C4'-P-C4' energy: -154.823
flat angles P-C4'-P energy: -110.876
tors. eta vs tors. theta energy: -226.258
Dist. restrs. and SS energy: 10.266 (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: 2
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -2542.519548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2542.519548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2545.443362 (E_RNA)
where:
Base-Base interactions energy: -1820.975
where: short stacking energy: -759.200
Base-Backbone interact. energy: -1.097
local terms energy: -723.372042
where:
bonds (distance) C4'-P energy: -111.214
bonds (distance) P-C4' energy: -133.240
flat angles C4'-P-C4' energy: -158.570
flat angles P-C4'-P energy: -94.140
tors. eta vs tors. theta energy: -226.207
Dist. restrs. and SS energy: 2.924 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -2370.072537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2370.072537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2374.225286 (E_RNA)
where:
Base-Base interactions energy: -1691.275
where: short stacking energy: -710.292
Base-Backbone interact. energy: 0.301
local terms energy: -683.251770
where:
bonds (distance) C4'-P energy: -136.520
bonds (distance) P-C4' energy: -112.444
flat angles C4'-P-C4' energy: -142.498
flat angles P-C4'-P energy: -85.964
tors. eta vs tors. theta energy: -205.827
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: 7, replica: 9
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -2221.339364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2221.339364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2236.548163 (E_RNA)
where:
Base-Base interactions energy: -1546.153
where: short stacking energy: -661.864
Base-Backbone interact. energy: -2.576
local terms energy: -687.818700
where:
bonds (distance) C4'-P energy: -124.451
bonds (distance) P-C4' energy: -106.855
flat angles C4'-P-C4' energy: -149.516
flat angles P-C4'-P energy: -102.586
tors. eta vs tors. theta energy: -204.411
Dist. restrs. and SS energy: 15.209 (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: 7
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -2158.391589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2158.391589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2168.321929 (E_RNA)
where:
Base-Base interactions energy: -1514.000
where: short stacking energy: -621.844
Base-Backbone interact. energy: 0.390
local terms energy: -654.711898
where:
bonds (distance) C4'-P energy: -112.462
bonds (distance) P-C4' energy: -122.637
flat angles C4'-P-C4' energy: -124.794
flat angles P-C4'-P energy: -99.137
tors. eta vs tors. theta energy: -195.682
Dist. restrs. and SS energy: 9.930 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -1951.174315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1951.174315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1967.737441 (E_RNA)
where:
Base-Base interactions energy: -1374.373
where: short stacking energy: -577.316
Base-Backbone interact. energy: -1.868
local terms energy: -591.497243
where:
bonds (distance) C4'-P energy: -116.119
bonds (distance) P-C4' energy: -94.214
flat angles C4'-P-C4' energy: -134.088
flat angles P-C4'-P energy: -85.598
tors. eta vs tors. theta energy: -161.479
Dist. restrs. and SS energy: 16.563 (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: 1
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -1911.314189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1911.314189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1934.663427 (E_RNA)
where:
Base-Base interactions energy: -1337.188
where: short stacking energy: -554.862
Base-Backbone interact. energy: -2.464
local terms energy: -595.011676
where:
bonds (distance) C4'-P energy: -109.165
bonds (distance) P-C4' energy: -123.293
flat angles C4'-P-C4' energy: -120.812
flat angles P-C4'-P energy: -81.774
tors. eta vs tors. theta energy: -159.968
Dist. restrs. and SS energy: 23.349 (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: 8
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -2750.968364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2750.968364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2753.524793 (E_RNA)
where:
Base-Base interactions energy: -1928.083
where: short stacking energy: -816.301
Base-Backbone interact. energy: -3.339
local terms energy: -822.102051
where:
bonds (distance) C4'-P energy: -152.523
bonds (distance) P-C4' energy: -130.353
flat angles C4'-P-C4' energy: -178.299
flat angles P-C4'-P energy: -125.114
tors. eta vs tors. theta energy: -235.813
Dist. restrs. and SS energy: 2.556 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -2658.357078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2658.357078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2662.791996 (E_RNA)
where:
Base-Base interactions energy: -1832.612
where: short stacking energy: -793.061
Base-Backbone interact. energy: -2.040
local terms energy: -828.140206
where:
bonds (distance) C4'-P energy: -152.181
bonds (distance) P-C4' energy: -157.375
flat angles C4'-P-C4' energy: -157.373
flat angles P-C4'-P energy: -123.696
tors. eta vs tors. theta energy: -237.516
Dist. restrs. and SS energy: 4.435 (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: 3
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -2578.752315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2578.752315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2591.148702 (E_RNA)
where:
Base-Base interactions energy: -1819.128
where: short stacking energy: -768.874
Base-Backbone interact. energy: -1.484
local terms energy: -770.537002
where:
bonds (distance) C4'-P energy: -143.748
bonds (distance) P-C4' energy: -134.896
flat angles C4'-P-C4' energy: -160.999
flat angles P-C4'-P energy: -104.375
tors. eta vs tors. theta energy: -226.519
Dist. restrs. and SS energy: 12.396 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -2466.503494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2466.503494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2480.162379 (E_RNA)
where:
Base-Base interactions energy: -1724.074
where: short stacking energy: -734.975
Base-Backbone interact. energy: -5.477
local terms energy: -750.611141
where:
bonds (distance) C4'-P energy: -132.146
bonds (distance) P-C4' energy: -128.667
flat angles C4'-P-C4' energy: -166.903
flat angles P-C4'-P energy: -102.243
tors. eta vs tors. theta energy: -220.652
Dist. restrs. and SS energy: 13.659 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -2486.993810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2486.993810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2494.211431 (E_RNA)
where:
Base-Base interactions energy: -1743.549
where: short stacking energy: -729.057
Base-Backbone interact. energy: -0.156
local terms energy: -750.505982
where:
bonds (distance) C4'-P energy: -123.500
bonds (distance) P-C4' energy: -140.229
flat angles C4'-P-C4' energy: -157.417
flat angles P-C4'-P energy: -110.347
tors. eta vs tors. theta energy: -219.014
Dist. restrs. and SS energy: 7.218 (S_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: 232
Temperature: 1.150000
Total energy: -2359.846244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2359.846244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2367.865927 (E_RNA)
where:
Base-Base interactions energy: -1661.699
where: short stacking energy: -699.457
Base-Backbone interact. energy: -1.774
local terms energy: -704.393229
where:
bonds (distance) C4'-P energy: -130.838
bonds (distance) P-C4' energy: -121.709
flat angles C4'-P-C4' energy: -151.893
flat angles P-C4'-P energy: -84.699
tors. eta vs tors. theta energy: -215.255
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: 7, replica: 9
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -2254.467117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2254.467117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2267.365683 (E_RNA)
where:
Base-Base interactions energy: -1572.541
where: short stacking energy: -673.747
Base-Backbone interact. energy: -2.840
local terms energy: -691.984738
where:
bonds (distance) C4'-P energy: -125.913
bonds (distance) P-C4' energy: -131.968
flat angles C4'-P-C4' energy: -141.742
flat angles P-C4'-P energy: -91.004
tors. eta vs tors. theta energy: -201.357
Dist. restrs. and SS energy: 12.899 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -2189.429099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2189.429099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2201.932670 (E_RNA)
where:
Base-Base interactions energy: -1546.411
where: short stacking energy: -662.194
Base-Backbone interact. energy: 3.008
local terms energy: -658.529913
where:
bonds (distance) C4'-P energy: -118.067
bonds (distance) P-C4' energy: -122.652
flat angles C4'-P-C4' energy: -140.900
flat angles P-C4'-P energy: -85.083
tors. eta vs tors. theta energy: -191.828
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: 9, replica: 1
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -1979.416728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1979.416728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2001.636151 (E_RNA)
where:
Base-Base interactions energy: -1384.297
where: short stacking energy: -550.640
Base-Backbone interact. energy: -3.063
local terms energy: -614.276431
where:
bonds (distance) C4'-P energy: -110.107
bonds (distance) P-C4' energy: -122.386
flat angles C4'-P-C4' energy: -146.977
flat angles P-C4'-P energy: -73.873
tors. eta vs tors. theta energy: -160.933
Dist. restrs. and SS energy: 22.219 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -1951.849359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1951.849359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1969.921608 (E_RNA)
where:
Base-Base interactions energy: -1372.438
where: short stacking energy: -560.239
Base-Backbone interact. energy: 6.674
local terms energy: -604.157789
where:
bonds (distance) C4'-P energy: -126.873
bonds (distance) P-C4' energy: -103.502
flat angles C4'-P-C4' energy: -128.977
flat angles P-C4'-P energy: -81.807
tors. eta vs tors. theta energy: -162.998
Dist. restrs. and SS energy: 18.072 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -2757.086572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2757.086572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2760.655840 (E_RNA)
where:
Base-Base interactions energy: -1929.062
where: short stacking energy: -816.896
Base-Backbone interact. energy: 0.691
local terms energy: -832.285374
where:
bonds (distance) C4'-P energy: -155.792
bonds (distance) P-C4' energy: -131.072
flat angles C4'-P-C4' energy: -183.451
flat angles P-C4'-P energy: -122.806
tors. eta vs tors. theta energy: -239.164
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: 3
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -2630.319560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2630.319560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2644.312666 (E_RNA)
where:
Base-Base interactions energy: -1863.001
where: short stacking energy: -795.712
Base-Backbone interact. energy: -2.104
local terms energy: -779.207944
where:
bonds (distance) C4'-P energy: -143.051
bonds (distance) P-C4' energy: -132.255
flat angles C4'-P-C4' energy: -158.878
flat angles P-C4'-P energy: -118.046
tors. eta vs tors. theta energy: -226.978
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: 3, replica: 5
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -2618.859465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2618.859465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2627.274572 (E_RNA)
where:
Base-Base interactions energy: -1844.938
where: short stacking energy: -802.301
Base-Backbone interact. energy: -1.852
local terms energy: -780.484413
where:
bonds (distance) C4'-P energy: -133.649
bonds (distance) P-C4' energy: -136.529
flat angles C4'-P-C4' energy: -160.285
flat angles P-C4'-P energy: -111.042
tors. eta vs tors. theta energy: -238.979
Dist. restrs. and SS energy: 8.415 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -2570.298687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2570.298687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2574.508757 (E_RNA)
where:
Base-Base interactions energy: -1793.365
where: short stacking energy: -767.424
Base-Backbone interact. energy: -3.065
local terms energy: -778.079086
where:
bonds (distance) C4'-P energy: -138.082
bonds (distance) P-C4' energy: -135.696
flat angles C4'-P-C4' energy: -146.706
flat angles P-C4'-P energy: -120.326
tors. eta vs tors. theta energy: -237.269
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: 5, replica: 4
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -2433.020466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2433.020466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2446.279424 (E_RNA)
where:
Base-Base interactions energy: -1688.908
where: short stacking energy: -718.913
Base-Backbone interact. energy: -1.371
local terms energy: -756.000273
where:
bonds (distance) C4'-P energy: -139.116
bonds (distance) P-C4' energy: -143.215
flat angles C4'-P-C4' energy: -173.909
flat angles P-C4'-P energy: -90.543
tors. eta vs tors. theta energy: -209.217
Dist. restrs. and SS energy: 13.259 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -2342.588638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2342.588638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2353.309475 (E_RNA)
where:
Base-Base interactions energy: -1659.282
where: short stacking energy: -701.403
Base-Backbone interact. energy: -1.270
local terms energy: -692.757691
where:
bonds (distance) C4'-P energy: -118.669
bonds (distance) P-C4' energy: -126.898
flat angles C4'-P-C4' energy: -153.617
flat angles P-C4'-P energy: -89.209
tors. eta vs tors. theta energy: -204.365
Dist. restrs. and SS energy: 10.721 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -2261.158891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2261.158891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2271.866596 (E_RNA)
where:
Base-Base interactions energy: -1619.264
where: short stacking energy: -666.165
Base-Backbone interact. energy: -0.500
local terms energy: -652.102844
where:
bonds (distance) C4'-P energy: -106.393
bonds (distance) P-C4' energy: -118.430
flat angles C4'-P-C4' energy: -139.162
flat angles P-C4'-P energy: -87.226
tors. eta vs tors. theta energy: -200.892
Dist. restrs. and SS energy: 10.708 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -2167.853589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2167.853589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2179.756126 (E_RNA)
where:
Base-Base interactions energy: -1543.812
where: short stacking energy: -648.135
Base-Backbone interact. energy: -2.733
local terms energy: -633.210355
where:
bonds (distance) C4'-P energy: -92.791
bonds (distance) P-C4' energy: -103.694
flat angles C4'-P-C4' energy: -142.524
flat angles P-C4'-P energy: -102.996
tors. eta vs tors. theta energy: -191.205
Dist. restrs. and SS energy: 11.903 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -1950.589467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.589467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1969.013270 (E_RNA)
where:
Base-Base interactions energy: -1375.510
where: short stacking energy: -545.013
Base-Backbone interact. energy: 1.458
local terms energy: -594.961445
where:
bonds (distance) C4'-P energy: -118.171
bonds (distance) P-C4' energy: -126.726
flat angles C4'-P-C4' energy: -136.849
flat angles P-C4'-P energy: -69.943
tors. eta vs tors. theta energy: -143.273
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: 10, replica: 6
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -1926.607788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.607788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1944.556634 (E_RNA)
where:
Base-Base interactions energy: -1380.177
where: short stacking energy: -558.736
Base-Backbone interact. energy: -0.550
local terms energy: -563.830046
where:
bonds (distance) C4'-P energy: -122.375
bonds (distance) P-C4' energy: -80.772
flat angles C4'-P-C4' energy: -130.572
flat angles P-C4'-P energy: -71.759
tors. eta vs tors. theta energy: -158.352
Dist. restrs. and SS energy: 17.949 (S_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: 234
Temperature: 0.900000
Total energy: -2738.578908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2738.578908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2741.703818 (E_RNA)
where:
Base-Base interactions energy: -1915.630
where: short stacking energy: -806.583
Base-Backbone interact. energy: -1.354
local terms energy: -824.720291
where:
bonds (distance) C4'-P energy: -149.185
bonds (distance) P-C4' energy: -152.172
flat angles C4'-P-C4' energy: -162.986
flat angles P-C4'-P energy: -124.253
tors. eta vs tors. theta energy: -236.124
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: 3
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -2666.408022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2666.408022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2673.012077 (E_RNA)
where:
Base-Base interactions energy: -1852.776
where: short stacking energy: -773.389
Base-Backbone interact. energy: -2.161
local terms energy: -818.075494
where:
bonds (distance) C4'-P energy: -140.699
bonds (distance) P-C4' energy: -149.436
flat angles C4'-P-C4' energy: -157.486
flat angles P-C4'-P energy: -126.085
tors. eta vs tors. theta energy: -244.369
Dist. restrs. and SS energy: 6.604 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -2658.722614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2658.722614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2663.158454 (E_RNA)
where:
Base-Base interactions energy: -1863.853
where: short stacking energy: -798.939
Base-Backbone interact. energy: -4.900
local terms energy: -794.405584
where:
bonds (distance) C4'-P energy: -146.617
bonds (distance) P-C4' energy: -145.099
flat angles C4'-P-C4' energy: -156.750
flat angles P-C4'-P energy: -112.024
tors. eta vs tors. theta energy: -233.917
Dist. restrs. and SS energy: 4.436 (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: 2
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -2532.060611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2532.060611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2535.241277 (E_RNA)
where:
Base-Base interactions energy: -1792.208
where: short stacking energy: -738.228
Base-Backbone interact. energy: -3.205
local terms energy: -739.828799
where:
bonds (distance) C4'-P energy: -136.312
bonds (distance) P-C4' energy: -117.920
flat angles C4'-P-C4' energy: -157.068
flat angles P-C4'-P energy: -110.484
tors. eta vs tors. theta energy: -218.044
Dist. restrs. and SS energy: 3.181 (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: 4
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -2421.990726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2421.990726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2432.592863 (E_RNA)
where:
Base-Base interactions energy: -1706.316
where: short stacking energy: -724.798
Base-Backbone interact. energy: -2.169
local terms energy: -724.108322
where:
bonds (distance) C4'-P energy: -139.807
bonds (distance) P-C4' energy: -116.369
flat angles C4'-P-C4' energy: -153.864
flat angles P-C4'-P energy: -98.327
tors. eta vs tors. theta energy: -215.741
Dist. restrs. and SS energy: 10.602 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -2360.553651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2360.553651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2368.172877 (E_RNA)
where:
Base-Base interactions energy: -1669.172
where: short stacking energy: -697.399
Base-Backbone interact. energy: -1.781
local terms energy: -697.220600
where:
bonds (distance) C4'-P energy: -104.844
bonds (distance) P-C4' energy: -125.945
flat angles C4'-P-C4' energy: -157.750
flat angles P-C4'-P energy: -100.897
tors. eta vs tors. theta energy: -207.785
Dist. restrs. and SS energy: 7.619 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -2266.263314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2266.263314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2275.644348 (E_RNA)
where:
Base-Base interactions energy: -1601.010
where: short stacking energy: -686.017
Base-Backbone interact. energy: 4.587
local terms energy: -679.220640
where:
bonds (distance) C4'-P energy: -124.667
bonds (distance) P-C4' energy: -109.939
flat angles C4'-P-C4' energy: -142.091
flat angles P-C4'-P energy: -92.039
tors. eta vs tors. theta energy: -210.485
Dist. restrs. and SS energy: 9.381 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -2165.197172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2165.197172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2181.356012 (E_RNA)
where:
Base-Base interactions energy: -1538.019
where: short stacking energy: -653.744
Base-Backbone interact. energy: -3.525
local terms energy: -639.812390
where:
bonds (distance) C4'-P energy: -85.498
bonds (distance) P-C4' energy: -122.565
flat angles C4'-P-C4' energy: -156.991
flat angles P-C4'-P energy: -80.924
tors. eta vs tors. theta energy: -193.834
Dist. restrs. and SS energy: 16.159 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -2007.406238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2007.406238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2018.853028 (E_RNA)
where:
Base-Base interactions energy: -1429.794
where: short stacking energy: -566.765
Base-Backbone interact. energy: -3.291
local terms energy: -585.768173
where:
bonds (distance) C4'-P energy: -107.460
bonds (distance) P-C4' energy: -109.148
flat angles C4'-P-C4' energy: -142.306
flat angles P-C4'-P energy: -82.268
tors. eta vs tors. theta energy: -144.586
Dist. restrs. and SS energy: 11.447 (S_DIST_RNA)
chem. 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: -1842.503696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.503696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.904257 (E_RNA)
where:
Base-Base interactions energy: -1329.094
where: short stacking energy: -522.059
Base-Backbone interact. energy: 5.720
local terms energy: -534.530624
where:
bonds (distance) C4'-P energy: -125.223
bonds (distance) P-C4' energy: -92.516
flat angles C4'-P-C4' energy: -108.422
flat angles P-C4'-P energy: -62.438
tors. eta vs tors. theta energy: -145.933
Dist. restrs. and SS energy: 15.401 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -2717.872397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2717.872397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2722.723460 (E_RNA)
where:
Base-Base interactions energy: -1915.300
where: short stacking energy: -814.391
Base-Backbone interact. energy: 0.538
local terms energy: -807.961641
where:
bonds (distance) C4'-P energy: -128.738
bonds (distance) P-C4' energy: -146.909
flat angles C4'-P-C4' energy: -171.220
flat angles P-C4'-P energy: -118.905
tors. eta vs tors. theta energy: -242.189
Dist. restrs. and SS energy: 4.851 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -2681.128786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2681.128786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2687.390040 (E_RNA)
where:
Base-Base interactions energy: -1903.080
where: short stacking energy: -795.427
Base-Backbone interact. energy: 1.878
local terms energy: -786.188702
where:
bonds (distance) C4'-P energy: -128.664
bonds (distance) P-C4' energy: -138.359
flat angles C4'-P-C4' energy: -164.352
flat angles P-C4'-P energy: -119.058
tors. eta vs tors. theta energy: -235.756
Dist. restrs. and SS energy: 6.261 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -2635.153775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2635.153775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2644.456484 (E_RNA)
where:
Base-Base interactions energy: -1878.710
where: short stacking energy: -788.558
Base-Backbone interact. energy: -1.915
local terms energy: -763.831458
where:
bonds (distance) C4'-P energy: -125.117
bonds (distance) P-C4' energy: -130.499
flat angles C4'-P-C4' energy: -153.742
flat angles P-C4'-P energy: -115.208
tors. eta vs tors. theta energy: -239.266
Dist. restrs. and SS energy: 9.303 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -2583.378993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2583.378993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2586.764137 (E_RNA)
where:
Base-Base interactions energy: -1816.518
where: short stacking energy: -756.254
Base-Backbone interact. energy: -4.691
local terms energy: -765.554752
where:
bonds (distance) C4'-P energy: -120.996
bonds (distance) P-C4' energy: -142.936
flat angles C4'-P-C4' energy: -164.257
flat angles P-C4'-P energy: -114.909
tors. eta vs tors. theta energy: -222.456
Dist. restrs. and SS energy: 3.385 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -2476.211744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2476.211744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2484.988419 (E_RNA)
where:
Base-Base interactions energy: -1756.878
where: short stacking energy: -744.004
Base-Backbone interact. energy: 5.745
local terms energy: -733.855164
where:
bonds (distance) C4'-P energy: -131.023
bonds (distance) P-C4' energy: -124.975
flat angles C4'-P-C4' energy: -162.812
flat angles P-C4'-P energy: -97.517
tors. eta vs tors. theta energy: -217.529
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: 6, replica: 10
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -2352.801597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2352.801597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2360.268882 (E_RNA)
where:
Base-Base interactions energy: -1642.698
where: short stacking energy: -683.871
Base-Backbone interact. energy: -0.339
local terms energy: -717.231905
where:
bonds (distance) C4'-P energy: -129.135
bonds (distance) P-C4' energy: -126.635
flat angles C4'-P-C4' energy: -147.329
flat angles P-C4'-P energy: -99.891
tors. eta vs tors. theta energy: -214.242
Dist. restrs. and SS energy: 7.467 (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: 9
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -2247.800250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2247.800250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2256.255247 (E_RNA)
where:
Base-Base interactions energy: -1570.728
where: short stacking energy: -650.489
Base-Backbone interact. energy: -2.699
local terms energy: -682.828268
where:
bonds (distance) C4'-P energy: -115.846
bonds (distance) P-C4' energy: -133.440
flat angles C4'-P-C4' energy: -143.872
flat angles P-C4'-P energy: -86.234
tors. eta vs tors. theta energy: -203.436
Dist. restrs. and SS energy: 8.455 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -2209.189661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2209.189661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2220.502289 (E_RNA)
where:
Base-Base interactions energy: -1543.964
where: short stacking energy: -637.629
Base-Backbone interact. energy: 4.115
local terms energy: -680.652751
where:
bonds (distance) C4'-P energy: -125.705
bonds (distance) P-C4' energy: -133.049
flat angles C4'-P-C4' energy: -138.452
flat angles P-C4'-P energy: -88.368
tors. eta vs tors. theta energy: -195.079
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: 9, replica: 1
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -1995.463431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1995.463431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2007.918265 (E_RNA)
where:
Base-Base interactions energy: -1409.006
where: short stacking energy: -583.627
Base-Backbone interact. energy: 0.185
local terms energy: -599.097290
where:
bonds (distance) C4'-P energy: -115.446
bonds (distance) P-C4' energy: -105.308
flat angles C4'-P-C4' energy: -139.757
flat angles P-C4'-P energy: -79.686
tors. eta vs tors. theta energy: -158.900
Dist. restrs. and SS energy: 12.455 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -1971.658049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1971.658049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.579488 (E_RNA)
where:
Base-Base interactions energy: -1385.948
where: short stacking energy: -575.507
Base-Backbone interact. energy: -1.940
local terms energy: -602.691231
where:
bonds (distance) C4'-P energy: -110.890
bonds (distance) P-C4' energy: -127.294
flat angles C4'-P-C4' energy: -136.256
flat angles P-C4'-P energy: -75.465
tors. eta vs tors. theta energy: -152.786
Dist. restrs. and SS energy: 18.921 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -2710.642684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2710.642684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2715.526879 (E_RNA)
where:
Base-Base interactions energy: -1886.506
where: short stacking energy: -812.052
Base-Backbone interact. energy: -1.812
local terms energy: -827.209167
where:
bonds (distance) C4'-P energy: -141.482
bonds (distance) P-C4' energy: -148.422
flat angles C4'-P-C4' energy: -178.296
flat angles P-C4'-P energy: -119.586
tors. eta vs tors. theta energy: -239.424
Dist. restrs. and SS energy: 4.884 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -2647.639510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2647.639510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2655.243252 (E_RNA)
where:
Base-Base interactions energy: -1843.767
where: short stacking energy: -769.662
Base-Backbone interact. energy: -0.970
local terms energy: -810.505905
where:
bonds (distance) C4'-P energy: -138.528
bonds (distance) P-C4' energy: -152.761
flat angles C4'-P-C4' energy: -172.871
flat angles P-C4'-P energy: -112.775
tors. eta vs tors. theta energy: -233.570
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: 3, replica: 5
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -2619.337151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2619.337151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2624.814464 (E_RNA)
where:
Base-Base interactions energy: -1852.174
where: short stacking energy: -775.881
Base-Backbone interact. energy: -3.217
local terms energy: -769.423713
where:
bonds (distance) C4'-P energy: -138.589
bonds (distance) P-C4' energy: -139.869
flat angles C4'-P-C4' energy: -158.139
flat angles P-C4'-P energy: -103.155
tors. eta vs tors. theta energy: -229.671
Dist. restrs. and SS energy: 5.477 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -2549.323153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2549.323153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2554.005385 (E_RNA)
where:
Base-Base interactions energy: -1791.858
where: short stacking energy: -733.465
Base-Backbone interact. energy: -2.575
local terms energy: -759.572102
where:
bonds (distance) C4'-P energy: -138.933
bonds (distance) P-C4' energy: -120.974
flat angles C4'-P-C4' energy: -168.723
flat angles P-C4'-P energy: -107.219
tors. eta vs tors. theta energy: -223.723
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: 236
Temperature: 1.100000
Total energy: -2458.704067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2458.704067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2464.882160 (E_RNA)
where:
Base-Base interactions energy: -1728.679
where: short stacking energy: -708.771
Base-Backbone interact. energy: -2.022
local terms energy: -734.181889
where:
bonds (distance) C4'-P energy: -135.691
bonds (distance) P-C4' energy: -125.357
flat angles C4'-P-C4' energy: -152.780
flat angles P-C4'-P energy: -105.235
tors. eta vs tors. theta energy: -215.119
Dist. restrs. and SS energy: 6.178 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -2389.346740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2389.346740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2399.088586 (E_RNA)
where:
Base-Base interactions energy: -1682.929
where: short stacking energy: -723.445
Base-Backbone interact. energy: -0.246
local terms energy: -715.913509
where:
bonds (distance) C4'-P energy: -138.968
bonds (distance) P-C4' energy: -124.354
flat angles C4'-P-C4' energy: -139.587
flat angles P-C4'-P energy: -85.307
tors. eta vs tors. theta energy: -227.698
Dist. restrs. and SS energy: 9.742 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -2259.730790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2259.730790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2267.781310 (E_RNA)
where:
Base-Base interactions energy: -1599.748
where: short stacking energy: -676.567
Base-Backbone interact. energy: -1.108
local terms energy: -666.925618
where:
bonds (distance) C4'-P energy: -100.737
bonds (distance) P-C4' energy: -122.660
flat angles C4'-P-C4' energy: -143.550
flat angles P-C4'-P energy: -92.153
tors. eta vs tors. theta energy: -207.825
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: 7
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -2182.636114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2182.636114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2202.759763 (E_RNA)
where:
Base-Base interactions energy: -1547.610
where: short stacking energy: -633.742
Base-Backbone interact. energy: -2.939
local terms energy: -652.211052
where:
bonds (distance) C4'-P energy: -117.514
bonds (distance) P-C4' energy: -110.232
flat angles C4'-P-C4' energy: -137.607
flat angles P-C4'-P energy: -93.347
tors. eta vs tors. theta energy: -193.512
Dist. restrs. and SS energy: 20.124 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -2017.462517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2017.462517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2029.763565 (E_RNA)
where:
Base-Base interactions energy: -1451.126
where: short stacking energy: -600.709
Base-Backbone interact. energy: 3.027
local terms energy: -581.664039
where:
bonds (distance) C4'-P energy: -97.703
bonds (distance) P-C4' energy: -111.971
flat angles C4'-P-C4' energy: -117.006
flat angles P-C4'-P energy: -88.489
tors. eta vs tors. theta energy: -166.494
Dist. restrs. and SS energy: 12.301 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -1940.510210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1940.510210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1962.704235 (E_RNA)
where:
Base-Base interactions energy: -1376.698
where: short stacking energy: -578.318
Base-Backbone interact. energy: -0.061
local terms energy: -585.945388
where:
bonds (distance) C4'-P energy: -105.896
bonds (distance) P-C4' energy: -106.304
flat angles C4'-P-C4' energy: -125.113
flat angles P-C4'-P energy: -93.896
tors. eta vs tors. theta energy: -154.737
Dist. restrs. and SS energy: 22.194 (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: 8
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -2737.198266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2737.198266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2741.491493 (E_RNA)
where:
Base-Base interactions energy: -1917.800
where: short stacking energy: -827.421
Base-Backbone interact. energy: -3.751
local terms energy: -819.940651
where:
bonds (distance) C4'-P energy: -135.899
bonds (distance) P-C4' energy: -142.506
flat angles C4'-P-C4' energy: -180.490
flat angles P-C4'-P energy: -118.072
tors. eta vs tors. theta energy: -242.973
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: 5
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -2671.165144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2671.165144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2676.419830 (E_RNA)
where:
Base-Base interactions energy: -1876.219
where: short stacking energy: -798.708
Base-Backbone interact. energy: -2.841
local terms energy: -797.360447
where:
bonds (distance) C4'-P energy: -148.919
bonds (distance) P-C4' energy: -129.795
flat angles C4'-P-C4' energy: -164.122
flat angles P-C4'-P energy: -112.615
tors. eta vs tors. theta energy: -241.910
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: 3, replica: 3
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -2570.422181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2570.422181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2576.641746 (E_RNA)
where:
Base-Base interactions energy: -1820.150
where: short stacking energy: -734.780
Base-Backbone interact. energy: 0.669
local terms energy: -757.160720
where:
bonds (distance) C4'-P energy: -125.784
bonds (distance) P-C4' energy: -142.035
flat angles C4'-P-C4' energy: -161.244
flat angles P-C4'-P energy: -109.056
tors. eta vs tors. theta energy: -219.043
Dist. restrs. and SS energy: 6.220 (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: 2
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -2610.274785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2610.274785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2613.876883 (E_RNA)
where:
Base-Base interactions energy: -1842.639
where: short stacking energy: -779.480
Base-Backbone interact. energy: -1.711
local terms energy: -769.526763
where:
bonds (distance) C4'-P energy: -139.845
bonds (distance) P-C4' energy: -127.503
flat angles C4'-P-C4' energy: -167.873
flat angles P-C4'-P energy: -96.878
tors. eta vs tors. theta energy: -237.428
Dist. restrs. and SS energy: 3.602 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -2423.156082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2423.156082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2429.008177 (E_RNA)
where:
Base-Base interactions energy: -1710.547
where: short stacking energy: -721.552
Base-Backbone interact. energy: -0.977
local terms energy: -717.484089
where:
bonds (distance) C4'-P energy: -132.946
bonds (distance) P-C4' energy: -123.181
flat angles C4'-P-C4' energy: -141.284
flat angles P-C4'-P energy: -101.011
tors. eta vs tors. theta energy: -219.061
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: 10
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -2350.556610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2350.556610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2357.920006 (E_RNA)
where:
Base-Base interactions energy: -1674.838
where: short stacking energy: -699.714
Base-Backbone interact. energy: -0.530
local terms energy: -682.551487
where:
bonds (distance) C4'-P energy: -123.062
bonds (distance) P-C4' energy: -125.518
flat angles C4'-P-C4' energy: -140.437
flat angles P-C4'-P energy: -92.609
tors. eta vs tors. theta energy: -200.926
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: 7, replica: 9
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -2308.529368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2308.529368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2316.164714 (E_RNA)
where:
Base-Base interactions energy: -1609.690
where: short stacking energy: -655.570
Base-Backbone interact. energy: -0.962
local terms energy: -705.512209
where:
bonds (distance) C4'-P energy: -127.154
bonds (distance) P-C4' energy: -129.777
flat angles C4'-P-C4' energy: -148.554
flat angles P-C4'-P energy: -94.014
tors. eta vs tors. theta energy: -206.013
Dist. restrs. and SS energy: 7.635 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -2147.396257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2147.396257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2162.537518 (E_RNA)
where:
Base-Base interactions energy: -1520.433
where: short stacking energy: -621.386
Base-Backbone interact. energy: 0.122
local terms energy: -642.226994
where:
bonds (distance) C4'-P energy: -101.610
bonds (distance) P-C4' energy: -117.111
flat angles C4'-P-C4' energy: -152.205
flat angles P-C4'-P energy: -85.112
tors. eta vs tors. theta energy: -186.189
Dist. restrs. and SS energy: 15.141 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -1994.713945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1994.713945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2012.271267 (E_RNA)
where:
Base-Base interactions energy: -1409.543
where: short stacking energy: -582.075
Base-Backbone interact. energy: 0.824
local terms energy: -603.552870
where:
bonds (distance) C4'-P energy: -109.506
bonds (distance) P-C4' energy: -110.469
flat angles C4'-P-C4' energy: -136.066
flat angles P-C4'-P energy: -97.560
tors. eta vs tors. theta energy: -149.950
Dist. restrs. and SS energy: 17.557 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -1936.642378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1936.642378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.234535 (E_RNA)
where:
Base-Base interactions energy: -1389.960
where: short stacking energy: -578.680
Base-Backbone interact. energy: -1.145
local terms energy: -575.129483
where:
bonds (distance) C4'-P energy: -103.532
bonds (distance) P-C4' energy: -107.583
flat angles C4'-P-C4' energy: -116.405
flat angles P-C4'-P energy: -70.387
tors. eta vs tors. theta energy: -177.222
Dist. restrs. and SS energy: 29.592 (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: 5
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -2732.433567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2732.433567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2739.592120 (E_RNA)
where:
Base-Base interactions energy: -1908.172
where: short stacking energy: -821.887
Base-Backbone interact. energy: -2.141
local terms energy: -829.279026
where:
bonds (distance) C4'-P energy: -137.338
bonds (distance) P-C4' energy: -154.667
flat angles C4'-P-C4' energy: -170.957
flat angles P-C4'-P energy: -129.817
tors. eta vs tors. theta energy: -236.500
Dist. restrs. and SS energy: 7.159 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -2699.753186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2699.753186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2706.286121 (E_RNA)
where:
Base-Base interactions energy: -1891.102
where: short stacking energy: -819.732
Base-Backbone interact. energy: -2.912
local terms energy: -812.271978
where:
bonds (distance) C4'-P energy: -132.621
bonds (distance) P-C4' energy: -134.511
flat angles C4'-P-C4' energy: -177.745
flat angles P-C4'-P energy: -115.354
tors. eta vs tors. theta energy: -252.040
Dist. restrs. and SS energy: 6.533 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -2669.946608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2669.946608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2675.147611 (E_RNA)
where:
Base-Base interactions energy: -1891.498
where: short stacking energy: -778.649
Base-Backbone interact. energy: -1.336
local terms energy: -782.314140
where:
bonds (distance) C4'-P energy: -134.245
bonds (distance) P-C4' energy: -141.305
flat angles C4'-P-C4' energy: -159.393
flat angles P-C4'-P energy: -111.054
tors. eta vs tors. theta energy: -236.319
Dist. restrs. and SS energy: 5.201 (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: 3
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -2504.275988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2504.275988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2509.817199 (E_RNA)
where:
Base-Base interactions energy: -1742.896
where: short stacking energy: -733.646
Base-Backbone interact. energy: -2.772
local terms energy: -764.148974
where:
bonds (distance) C4'-P energy: -156.517
bonds (distance) P-C4' energy: -117.054
flat angles C4'-P-C4' energy: -156.493
flat angles P-C4'-P energy: -99.581
tors. eta vs tors. theta energy: -234.504
Dist. restrs. and SS energy: 5.541 (S_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: 238
Temperature: 1.100000
Total energy: -2441.836334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2441.836334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2447.882137 (E_RNA)
where:
Base-Base interactions energy: -1697.325
where: short stacking energy: -714.087
Base-Backbone interact. energy: -1.007
local terms energy: -749.549965
where:
bonds (distance) C4'-P energy: -136.197
bonds (distance) P-C4' energy: -138.059
flat angles C4'-P-C4' energy: -152.788
flat angles P-C4'-P energy: -107.379
tors. eta vs tors. theta energy: -215.128
Dist. restrs. and SS energy: 6.046 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -2382.007451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2382.007451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2393.239769 (E_RNA)
where:
Base-Base interactions energy: -1678.168
where: short stacking energy: -695.199
Base-Backbone interact. energy: -3.500
local terms energy: -711.571910
where:
bonds (distance) C4'-P energy: -126.535
bonds (distance) P-C4' energy: -142.091
flat angles C4'-P-C4' energy: -148.553
flat angles P-C4'-P energy: -92.382
tors. eta vs tors. theta energy: -202.011
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: 9
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -2270.619361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2270.619361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2278.523793 (E_RNA)
where:
Base-Base interactions energy: -1632.867
where: short stacking energy: -688.778
Base-Backbone interact. energy: -4.117
local terms energy: -641.539409
where:
bonds (distance) C4'-P energy: -113.660
bonds (distance) P-C4' energy: -105.304
flat angles C4'-P-C4' energy: -144.017
flat angles P-C4'-P energy: -84.735
tors. eta vs tors. theta energy: -193.824
Dist. restrs. and SS energy: 7.904 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -2128.965579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2128.965579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2161.289973 (E_RNA)
where:
Base-Base interactions energy: -1477.612
where: short stacking energy: -666.484
Base-Backbone interact. energy: -3.732
local terms energy: -679.945934
where:
bonds (distance) C4'-P energy: -123.405
bonds (distance) P-C4' energy: -128.661
flat angles C4'-P-C4' energy: -143.360
flat angles P-C4'-P energy: -86.864
tors. eta vs tors. theta energy: -197.655
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: 9, replica: 1
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -2020.474571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2020.474571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2038.625209 (E_RNA)
where:
Base-Base interactions energy: -1392.699
where: short stacking energy: -574.029
Base-Backbone interact. energy: -1.653
local terms energy: -644.273265
where:
bonds (distance) C4'-P energy: -137.148
bonds (distance) P-C4' energy: -124.160
flat angles C4'-P-C4' energy: -141.895
flat angles P-C4'-P energy: -81.744
tors. eta vs tors. theta energy: -159.327
Dist. restrs. and SS energy: 18.151 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -1885.604546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1885.604546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1909.449943 (E_RNA)
where:
Base-Base interactions energy: -1317.054
where: short stacking energy: -540.751
Base-Backbone interact. energy: -2.620
local terms energy: -589.776256
where:
bonds (distance) C4'-P energy: -113.487
bonds (distance) P-C4' energy: -100.246
flat angles C4'-P-C4' energy: -127.215
flat angles P-C4'-P energy: -83.977
tors. eta vs tors. theta energy: -164.851
Dist. restrs. and SS energy: 23.845 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -2728.313687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2728.313687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2733.993349 (E_RNA)
where:
Base-Base interactions energy: -1891.137
where: short stacking energy: -802.154
Base-Backbone interact. energy: -1.669
local terms energy: -841.188238
where:
bonds (distance) C4'-P energy: -148.477
bonds (distance) P-C4' energy: -151.258
flat angles C4'-P-C4' energy: -174.605
flat angles P-C4'-P energy: -123.893
tors. eta vs tors. theta energy: -242.955
Dist. restrs. and SS energy: 5.680 (S_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: 239
Temperature: 0.950000
Total energy: -2712.710304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2712.710304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2717.239527 (E_RNA)
where:
Base-Base interactions energy: -1908.858
where: short stacking energy: -804.106
Base-Backbone interact. energy: 0.197
local terms energy: -808.578756
where:
bonds (distance) C4'-P energy: -132.191
bonds (distance) P-C4' energy: -138.717
flat angles C4'-P-C4' energy: -172.120
flat angles P-C4'-P energy: -115.155
tors. eta vs tors. theta energy: -250.396
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: 3, replica: 8
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -2632.812411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2632.812411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2635.767268 (E_RNA)
where:
Base-Base interactions energy: -1856.960
where: short stacking energy: -785.570
Base-Backbone interact. energy: 0.329
local terms energy: -779.135729
where:
bonds (distance) C4'-P energy: -132.572
bonds (distance) P-C4' energy: -134.695
flat angles C4'-P-C4' energy: -162.073
flat angles P-C4'-P energy: -120.790
tors. eta vs tors. theta energy: -229.005
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: 4, replica: 3
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -2524.002339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2524.002339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2533.416275 (E_RNA)
where:
Base-Base interactions energy: -1752.503
where: short stacking energy: -732.408
Base-Backbone interact. energy: -1.056
local terms energy: -779.857319
where:
bonds (distance) C4'-P energy: -139.576
bonds (distance) P-C4' energy: -144.064
flat angles C4'-P-C4' energy: -154.336
flat angles P-C4'-P energy: -112.267
tors. eta vs tors. theta energy: -229.615
Dist. restrs. and SS energy: 9.414 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -2416.757632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2416.757632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2420.929876 (E_RNA)
where:
Base-Base interactions energy: -1695.212
where: short stacking energy: -696.915
Base-Backbone interact. energy: -0.197
local terms energy: -725.521188
where:
bonds (distance) C4'-P energy: -136.553
bonds (distance) P-C4' energy: -119.224
flat angles C4'-P-C4' energy: -160.475
flat angles P-C4'-P energy: -92.709
tors. eta vs tors. theta energy: -216.560
Dist. restrs. and SS energy: 4.172 (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: 4
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -2329.909203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2329.909203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2343.806388 (E_RNA)
where:
Base-Base interactions energy: -1659.112
where: short stacking energy: -716.295
Base-Backbone interact. energy: 5.727
local terms energy: -690.421761
where:
bonds (distance) C4'-P energy: -116.547
bonds (distance) P-C4' energy: -135.251
flat angles C4'-P-C4' energy: -143.145
flat angles P-C4'-P energy: -91.172
tors. eta vs tors. theta energy: -204.306
Dist. restrs. and SS energy: 13.897 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -2283.063337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2283.063337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2293.962623 (E_RNA)
where:
Base-Base interactions energy: -1609.099
where: short stacking energy: -670.808
Base-Backbone interact. energy: -2.832
local terms energy: -682.031868
where:
bonds (distance) C4'-P energy: -96.411
bonds (distance) P-C4' energy: -142.389
flat angles C4'-P-C4' energy: -138.595
flat angles P-C4'-P energy: -106.570
tors. eta vs tors. theta energy: -198.067
Dist. restrs. and SS energy: 10.899 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -2147.612466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2147.612466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2167.967500 (E_RNA)
where:
Base-Base interactions energy: -1523.649
where: short stacking energy: -652.698
Base-Backbone interact. energy: 5.826
local terms energy: -650.144968
where:
bonds (distance) C4'-P energy: -112.086
bonds (distance) P-C4' energy: -96.254
flat angles C4'-P-C4' energy: -140.372
flat angles P-C4'-P energy: -104.141
tors. eta vs tors. theta energy: -197.291
Dist. restrs. and SS energy: 20.355 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -2041.821706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2041.821706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2053.323955 (E_RNA)
where:
Base-Base interactions energy: -1456.022
where: short stacking energy: -583.826
Base-Backbone interact. energy: 0.516
local terms energy: -597.817934
where:
bonds (distance) C4'-P energy: -114.324
bonds (distance) P-C4' energy: -119.001
flat angles C4'-P-C4' energy: -138.494
flat angles P-C4'-P energy: -70.411
tors. eta vs tors. theta energy: -155.589
Dist. restrs. and SS energy: 11.502 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -1903.537743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1903.537743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.222950 (E_RNA)
where:
Base-Base interactions energy: -1347.710
where: short stacking energy: -575.303
Base-Backbone interact. energy: -0.866
local terms energy: -573.647041
where:
bonds (distance) C4'-P energy: -114.219
bonds (distance) P-C4' energy: -124.049
flat angles C4'-P-C4' energy: -110.669
flat angles P-C4'-P energy: -60.811
tors. eta vs tors. theta energy: -163.899
Dist. restrs. and SS energy: 18.685 (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: 5
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -2720.954360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2720.954360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2725.579253 (E_RNA)
where:
Base-Base interactions energy: -1885.200
where: short stacking energy: -830.226
Base-Backbone interact. energy: -3.357
local terms energy: -837.022142
where:
bonds (distance) C4'-P energy: -155.031
bonds (distance) P-C4' energy: -149.686
flat angles C4'-P-C4' energy: -170.148
flat angles P-C4'-P energy: -120.479
tors. eta vs tors. theta energy: -241.678
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: 2
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -2726.947267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2726.947267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2730.670680 (E_RNA)
where:
Base-Base interactions energy: -1922.241
where: short stacking energy: -792.261
Base-Backbone interact. energy: -3.338
local terms energy: -805.092056
where:
bonds (distance) C4'-P energy: -129.988
bonds (distance) P-C4' energy: -153.164
flat angles C4'-P-C4' energy: -148.923
flat angles P-C4'-P energy: -135.010
tors. eta vs tors. theta energy: -238.006
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: 3, replica: 8
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -2643.710594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2643.710594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2648.752905 (E_RNA)
where:
Base-Base interactions energy: -1858.851
where: short stacking energy: -752.522
Base-Backbone interact. energy: -3.428
local terms energy: -786.473643
where:
bonds (distance) C4'-P energy: -142.981
bonds (distance) P-C4' energy: -135.723
flat angles C4'-P-C4' energy: -172.224
flat angles P-C4'-P energy: -107.670
tors. eta vs tors. theta energy: -227.876
Dist. restrs. and SS energy: 5.042 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -2494.860833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2494.860833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2498.664045 (E_RNA)
where:
Base-Base interactions energy: -1720.514
where: short stacking energy: -703.287
Base-Backbone interact. energy: -3.953
local terms energy: -774.196999
where:
bonds (distance) C4'-P energy: -143.419
bonds (distance) P-C4' energy: -155.143
flat angles C4'-P-C4' energy: -164.959
flat angles P-C4'-P energy: -107.717
tors. eta vs tors. theta energy: -202.959
Dist. restrs. and SS energy: 3.803 (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: 10
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -2438.793203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2438.793203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2443.620963 (E_RNA)
where:
Base-Base interactions energy: -1702.186
where: short stacking energy: -718.445
Base-Backbone interact. energy: -0.634
local terms energy: -740.800948
where:
bonds (distance) C4'-P energy: -134.891
bonds (distance) P-C4' energy: -109.384
flat angles C4'-P-C4' energy: -158.514
flat angles P-C4'-P energy: -122.947
tors. eta vs tors. theta energy: -215.065
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: 6, replica: 4
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -2338.251718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2338.251718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2353.674509 (E_RNA)
where:
Base-Base interactions energy: -1620.687
where: short stacking energy: -706.156
Base-Backbone interact. energy: -3.622
local terms energy: -729.365743
where:
bonds (distance) C4'-P energy: -112.543
bonds (distance) P-C4' energy: -137.965
flat angles C4'-P-C4' energy: -152.992
flat angles P-C4'-P energy: -115.252
tors. eta vs tors. theta energy: -210.613
Dist. restrs. and SS energy: 15.423 (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: 240
Temperature: 1.200000
Total energy: -2248.278799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2248.278799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2255.304766 (E_RNA)
where:
Base-Base interactions energy: -1577.221
where: short stacking energy: -643.448
Base-Backbone interact. energy: -0.846
local terms energy: -677.237462
where:
bonds (distance) C4'-P energy: -114.292
bonds (distance) P-C4' energy: -125.989
flat angles C4'-P-C4' energy: -142.954
flat angles P-C4'-P energy: -95.682
tors. eta vs tors. theta energy: -198.320
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: 8, replica: 7
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -2140.250723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2140.250723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2157.027593 (E_RNA)
where:
Base-Base interactions energy: -1510.523
where: short stacking energy: -642.196
Base-Backbone interact. energy: -1.104
local terms energy: -645.400038
where:
bonds (distance) C4'-P energy: -126.707
bonds (distance) P-C4' energy: -115.925
flat angles C4'-P-C4' energy: -137.969
flat angles P-C4'-P energy: -86.082
tors. eta vs tors. theta energy: -178.717
Dist. restrs. and SS energy: 16.777 (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: 1
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -2019.926176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2019.926176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2031.092296 (E_RNA)
where:
Base-Base interactions energy: -1398.297
where: short stacking energy: -561.267
Base-Backbone interact. energy: -0.332
local terms energy: -632.463069
where:
bonds (distance) C4'-P energy: -122.227
bonds (distance) P-C4' energy: -131.476
flat angles C4'-P-C4' energy: -130.537
flat angles P-C4'-P energy: -85.914
tors. eta vs tors. theta energy: -162.309
Dist. restrs. and SS energy: 11.166 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -1871.630932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.630932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.947771 (E_RNA)
where:
Base-Base interactions energy: -1309.454
where: short stacking energy: -525.416
Base-Backbone interact. energy: -2.361
local terms energy: -583.132165
where:
bonds (distance) C4'-P energy: -128.916
bonds (distance) P-C4' energy: -113.698
flat angles C4'-P-C4' energy: -122.658
flat angles P-C4'-P energy: -74.164
tors. eta vs tors. theta energy: -143.698
Dist. restrs. and SS energy: 23.317 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -2729.703732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2729.703732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2733.926197 (E_RNA)
where:
Base-Base interactions energy: -1923.226
where: short stacking energy: -820.164
Base-Backbone interact. energy: -3.850
local terms energy: -806.849423
where:
bonds (distance) C4'-P energy: -142.489
bonds (distance) P-C4' energy: -132.814
flat angles C4'-P-C4' energy: -173.846
flat angles P-C4'-P energy: -109.875
tors. eta vs tors. theta energy: -247.826
Dist. restrs. and SS energy: 4.222 (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: 2
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -2726.062793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2726.062793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2728.742361 (E_RNA)
where:
Base-Base interactions energy: -1907.815
where: short stacking energy: -786.391
Base-Backbone interact. energy: -1.653
local terms energy: -819.274148
where:
bonds (distance) C4'-P energy: -145.510
bonds (distance) P-C4' energy: -134.448
flat angles C4'-P-C4' energy: -176.007
flat angles P-C4'-P energy: -117.481
tors. eta vs tors. theta energy: -245.828
Dist. restrs. and SS energy: 2.680 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -2659.487200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2659.487200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2663.400922 (E_RNA)
where:
Base-Base interactions energy: -1864.834
where: short stacking energy: -774.657
Base-Backbone interact. energy: 0.916
local terms energy: -799.482551
where:
bonds (distance) C4'-P energy: -140.556
bonds (distance) P-C4' energy: -136.891
flat angles C4'-P-C4' energy: -168.533
flat angles P-C4'-P energy: -114.148
tors. eta vs tors. theta energy: -239.355
Dist. restrs. and SS energy: 3.914 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -2490.662520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2490.662520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2497.019269 (E_RNA)
where:
Base-Base interactions energy: -1744.608
where: short stacking energy: -718.050
Base-Backbone interact. energy: -0.011
local terms energy: -752.400300
where:
bonds (distance) C4'-P energy: -142.299
bonds (distance) P-C4' energy: -142.379
flat angles C4'-P-C4' energy: -151.996
flat angles P-C4'-P energy: -98.219
tors. eta vs tors. theta energy: -217.507
Dist. restrs. and SS energy: 6.357 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -2395.635624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2395.635624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2404.736227 (E_RNA)
where:
Base-Base interactions energy: -1682.238
where: short stacking energy: -705.481
Base-Backbone interact. energy: -2.354
local terms energy: -720.144045
where:
bonds (distance) C4'-P energy: -128.537
bonds (distance) P-C4' energy: -138.295
flat angles C4'-P-C4' energy: -158.076
flat angles P-C4'-P energy: -94.214
tors. eta vs tors. theta energy: -201.022
Dist. restrs. and SS energy: 9.101 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -2376.917882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2376.917882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2386.939744 (E_RNA)
where:
Base-Base interactions energy: -1678.937
where: short stacking energy: -713.510
Base-Backbone interact. energy: -1.647
local terms energy: -706.355740
where:
bonds (distance) C4'-P energy: -133.540
bonds (distance) P-C4' energy: -116.505
flat angles C4'-P-C4' energy: -152.773
flat angles P-C4'-P energy: -104.819
tors. eta vs tors. theta energy: -198.720
Dist. restrs. and SS energy: 10.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -2230.706952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2230.706952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2239.047443 (E_RNA)
where:
Base-Base interactions energy: -1570.482
where: short stacking energy: -639.898
Base-Backbone interact. energy: 0.079
local terms energy: -668.644066
where:
bonds (distance) C4'-P energy: -122.326
bonds (distance) P-C4' energy: -121.639
flat angles C4'-P-C4' energy: -147.747
flat angles P-C4'-P energy: -87.560
tors. eta vs tors. theta energy: -189.372
Dist. restrs. and SS energy: 8.340 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -2156.460864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2156.460864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2174.850228 (E_RNA)
where:
Base-Base interactions energy: -1535.402
where: short stacking energy: -651.378
Base-Backbone interact. energy: -5.814
local terms energy: -633.634047
where:
bonds (distance) C4'-P energy: -117.468
bonds (distance) P-C4' energy: -96.527
flat angles C4'-P-C4' energy: -135.918
flat angles P-C4'-P energy: -95.799
tors. eta vs tors. theta energy: -187.922
Dist. restrs. and SS energy: 18.389 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -1985.357315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1985.357315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2010.569659 (E_RNA)
where:
Base-Base interactions energy: -1396.181
where: short stacking energy: -567.184
Base-Backbone interact. energy: 3.428
local terms energy: -617.816420
where:
bonds (distance) C4'-P energy: -118.288
bonds (distance) P-C4' energy: -122.609
flat angles C4'-P-C4' energy: -127.354
flat angles P-C4'-P energy: -79.074
tors. eta vs tors. theta energy: -170.491
Dist. restrs. and SS energy: 25.212 (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: 6
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -1943.047916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1943.047916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.102264 (E_RNA)
where:
Base-Base interactions energy: -1391.476
where: short stacking energy: -585.178
Base-Backbone interact. energy: -0.270
local terms energy: -572.356104
where:
bonds (distance) C4'-P energy: -99.957
bonds (distance) P-C4' energy: -110.533
flat angles C4'-P-C4' energy: -137.922
flat angles P-C4'-P energy: -66.269
tors. eta vs tors. theta energy: -157.676
Dist. restrs. and SS energy: 21.054 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -2785.369290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2785.369290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2789.497171 (E_RNA)
where:
Base-Base interactions energy: -1942.316
where: short stacking energy: -796.613
Base-Backbone interact. energy: 0.011
local terms energy: -847.192651
where:
bonds (distance) C4'-P energy: -152.631
bonds (distance) P-C4' energy: -157.277
flat angles C4'-P-C4' energy: -169.265
flat angles P-C4'-P energy: -123.729
tors. eta vs tors. theta energy: -244.291
Dist. restrs. and SS energy: 4.128 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -2690.639000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2690.639000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2695.099892 (E_RNA)
where:
Base-Base interactions energy: -1894.510
where: short stacking energy: -817.373
Base-Backbone interact. energy: -2.212
local terms energy: -798.377273
where:
bonds (distance) C4'-P energy: -138.635
bonds (distance) P-C4' energy: -130.337
flat angles C4'-P-C4' energy: -164.183
flat angles P-C4'-P energy: -113.362
tors. eta vs tors. theta energy: -251.860
Dist. restrs. and SS energy: 4.461 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -2672.892311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2672.892311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2678.649875 (E_RNA)
where:
Base-Base interactions energy: -1893.572
where: short stacking energy: -788.748
Base-Backbone interact. energy: -2.997
local terms energy: -782.081464
where:
bonds (distance) C4'-P energy: -133.845
bonds (distance) P-C4' energy: -126.545
flat angles C4'-P-C4' energy: -174.097
flat angles P-C4'-P energy: -115.664
tors. eta vs tors. theta energy: -231.930
Dist. restrs. and SS energy: 5.758 (S_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: 242
Temperature: 1.050000
Total energy: -2528.208695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2528.208695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2534.446033 (E_RNA)
where:
Base-Base interactions energy: -1780.799
where: short stacking energy: -748.337
Base-Backbone interact. energy: -3.643
local terms energy: -750.003911
where:
bonds (distance) C4'-P energy: -118.090
bonds (distance) P-C4' energy: -143.149
flat angles C4'-P-C4' energy: -167.469
flat angles P-C4'-P energy: -104.821
tors. eta vs tors. theta energy: -216.476
Dist. restrs. and SS energy: 6.237 (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: 10
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -2433.144142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2433.144142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2443.277180 (E_RNA)
where:
Base-Base interactions energy: -1720.598
where: short stacking energy: -714.863
Base-Backbone interact. energy: -2.543
local terms energy: -720.136590
where:
bonds (distance) C4'-P energy: -137.880
bonds (distance) P-C4' energy: -139.211
flat angles C4'-P-C4' energy: -163.031
flat angles P-C4'-P energy: -89.670
tors. eta vs tors. theta energy: -190.343
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: 6, replica: 4
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -2359.831667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2359.831667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2371.405370 (E_RNA)
where:
Base-Base interactions energy: -1669.567
where: short stacking energy: -702.287
Base-Backbone interact. energy: -2.128
local terms energy: -699.710110
where:
bonds (distance) C4'-P energy: -118.250
bonds (distance) P-C4' energy: -114.792
flat angles C4'-P-C4' energy: -156.381
flat angles P-C4'-P energy: -105.856
tors. eta vs tors. theta energy: -204.430
Dist. restrs. and SS energy: 11.574 (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: 9
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -2243.078084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2243.078084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2251.095778 (E_RNA)
where:
Base-Base interactions energy: -1563.285
where: short stacking energy: -645.589
Base-Backbone interact. energy: -2.747
local terms energy: -685.063732
where:
bonds (distance) C4'-P energy: -128.762
bonds (distance) P-C4' energy: -133.166
flat angles C4'-P-C4' energy: -149.650
flat angles P-C4'-P energy: -71.327
tors. eta vs tors. theta energy: -202.159
Dist. restrs. and SS energy: 8.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -2159.368693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2159.368693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2177.101827 (E_RNA)
where:
Base-Base interactions energy: -1525.198
where: short stacking energy: -664.514
Base-Backbone interact. energy: 0.355
local terms energy: -652.259289
where:
bonds (distance) C4'-P energy: -114.113
bonds (distance) P-C4' energy: -126.021
flat angles C4'-P-C4' energy: -133.645
flat angles P-C4'-P energy: -86.255
tors. eta vs tors. theta energy: -192.225
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: 9, replica: 6
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -2021.780509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2021.780509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2046.940224 (E_RNA)
where:
Base-Base interactions energy: -1443.836
where: short stacking energy: -601.263
Base-Backbone interact. energy: -2.294
local terms energy: -600.810629
where:
bonds (distance) C4'-P energy: -105.307
bonds (distance) P-C4' energy: -122.624
flat angles C4'-P-C4' energy: -132.550
flat angles P-C4'-P energy: -65.998
tors. eta vs tors. theta energy: -174.331
Dist. restrs. and SS energy: 25.160 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -1920.611642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1920.611642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1940.521941 (E_RNA)
where:
Base-Base interactions energy: -1383.107
where: short stacking energy: -549.974
Base-Backbone interact. energy: 2.669
local terms energy: -560.083814
where:
bonds (distance) C4'-P energy: -102.990
bonds (distance) P-C4' energy: -118.363
flat angles C4'-P-C4' energy: -117.915
flat angles P-C4'-P energy: -71.918
tors. eta vs tors. theta energy: -148.897
Dist. restrs. and SS energy: 19.910 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -2768.966811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2768.966811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2771.520474 (E_RNA)
where:
Base-Base interactions energy: -1936.845
where: short stacking energy: -791.270
Base-Backbone interact. energy: -1.995
local terms energy: -832.680754
where:
bonds (distance) C4'-P energy: -141.490
bonds (distance) P-C4' energy: -150.150
flat angles C4'-P-C4' energy: -184.382
flat angles P-C4'-P energy: -113.826
tors. eta vs tors. theta energy: -242.833
Dist. restrs. and SS energy: 2.554 (S_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: 243
Temperature: 0.950000
Total energy: -2670.257477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2670.257477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2672.735471 (E_RNA)
where:
Base-Base interactions energy: -1872.538
where: short stacking energy: -806.989
Base-Backbone interact. energy: -1.049
local terms energy: -799.148933
where:
bonds (distance) C4'-P energy: -131.050
bonds (distance) P-C4' energy: -139.840
flat angles C4'-P-C4' energy: -167.131
flat angles P-C4'-P energy: -122.324
tors. eta vs tors. theta energy: -238.803
Dist. restrs. and SS energy: 2.478 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -2654.579623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2654.579623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2660.648080 (E_RNA)
where:
Base-Base interactions energy: -1874.829
where: short stacking energy: -786.342
Base-Backbone interact. energy: -0.282
local terms energy: -785.537211
where:
bonds (distance) C4'-P energy: -140.277
bonds (distance) P-C4' energy: -143.705
flat angles C4'-P-C4' energy: -156.910
flat angles P-C4'-P energy: -114.371
tors. eta vs tors. theta energy: -230.275
Dist. restrs. and SS energy: 6.068 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -2486.183697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2486.183697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2493.076315 (E_RNA)
where:
Base-Base interactions energy: -1738.927
where: short stacking energy: -745.457
Base-Backbone interact. energy: -0.059
local terms energy: -754.090390
where:
bonds (distance) C4'-P energy: -135.405
bonds (distance) P-C4' energy: -130.424
flat angles C4'-P-C4' energy: -159.884
flat angles P-C4'-P energy: -117.218
tors. eta vs tors. theta energy: -211.159
Dist. restrs. and SS energy: 6.893 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -2436.253328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2436.253328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2444.616212 (E_RNA)
where:
Base-Base interactions energy: -1723.639
where: short stacking energy: -731.384
Base-Backbone interact. energy: -0.864
local terms energy: -720.113735
where:
bonds (distance) C4'-P energy: -108.372
bonds (distance) P-C4' energy: -135.304
flat angles C4'-P-C4' energy: -166.779
flat angles P-C4'-P energy: -92.820
tors. eta vs tors. theta energy: -216.840
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: 4
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -2377.382130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2377.382130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2391.766262 (E_RNA)
where:
Base-Base interactions energy: -1667.276
where: short stacking energy: -713.331
Base-Backbone interact. energy: -2.566
local terms energy: -721.923926
where:
bonds (distance) C4'-P energy: -134.650
bonds (distance) P-C4' energy: -120.318
flat angles C4'-P-C4' energy: -154.333
flat angles P-C4'-P energy: -96.264
tors. eta vs tors. theta energy: -216.359
Dist. restrs. and SS energy: 14.384 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -2257.748086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2257.748086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2266.595869 (E_RNA)
where:
Base-Base interactions energy: -1567.543
where: short stacking energy: -659.544
Base-Backbone interact. energy: 1.858
local terms energy: -700.911014
where:
bonds (distance) C4'-P energy: -141.679
bonds (distance) P-C4' energy: -118.424
flat angles C4'-P-C4' energy: -141.475
flat angles P-C4'-P energy: -94.471
tors. eta vs tors. theta energy: -204.862
Dist. restrs. and SS energy: 8.848 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -2128.529049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2128.529049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2146.060519 (E_RNA)
where:
Base-Base interactions energy: -1480.474
where: short stacking energy: -614.704
Base-Backbone interact. energy: -2.529
local terms energy: -663.057354
where:
bonds (distance) C4'-P energy: -121.030
bonds (distance) P-C4' energy: -139.977
flat angles C4'-P-C4' energy: -124.459
flat angles P-C4'-P energy: -97.842
tors. eta vs tors. theta energy: -179.750
Dist. restrs. and SS energy: 17.531 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -2004.488032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2004.488032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2019.612081 (E_RNA)
where:
Base-Base interactions energy: -1425.124
where: short stacking energy: -571.149
Base-Backbone interact. energy: -3.189
local terms energy: -591.299236
where:
bonds (distance) C4'-P energy: -106.042
bonds (distance) P-C4' energy: -100.459
flat angles C4'-P-C4' energy: -142.654
flat angles P-C4'-P energy: -79.639
tors. eta vs tors. theta energy: -162.507
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: 10, replica: 1
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -1965.248662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1965.248662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1986.200097 (E_RNA)
where:
Base-Base interactions energy: -1389.193
where: short stacking energy: -569.453
Base-Backbone interact. energy: -0.152
local terms energy: -596.854357
where:
bonds (distance) C4'-P energy: -102.680
bonds (distance) P-C4' energy: -126.709
flat angles C4'-P-C4' energy: -129.593
flat angles P-C4'-P energy: -83.167
tors. eta vs tors. theta energy: -154.706
Dist. restrs. and SS energy: 20.951 (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: 2
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -2778.584648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2778.584648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2782.324452 (E_RNA)
where:
Base-Base interactions energy: -1941.924
where: short stacking energy: -814.937
Base-Backbone interact. energy: -2.061
local terms energy: -838.339345
where:
bonds (distance) C4'-P energy: -141.099
bonds (distance) P-C4' energy: -157.591
flat angles C4'-P-C4' energy: -166.234
flat angles P-C4'-P energy: -120.496
tors. eta vs tors. theta energy: -252.918
Dist. restrs. and SS energy: 3.740 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -2679.298333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2679.298333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2685.290026 (E_RNA)
where:
Base-Base interactions energy: -1892.672
where: short stacking energy: -817.340
Base-Backbone interact. energy: -3.268
local terms energy: -789.350024
where:
bonds (distance) C4'-P energy: -147.268
bonds (distance) P-C4' energy: -143.973
flat angles C4'-P-C4' energy: -157.347
flat angles P-C4'-P energy: -102.827
tors. eta vs tors. theta energy: -237.935
Dist. restrs. and SS energy: 5.992 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -2602.903227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2602.903227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2607.285649 (E_RNA)
where:
Base-Base interactions energy: -1815.320
where: short stacking energy: -795.313
Base-Backbone interact. energy: 3.913
local terms energy: -795.878527
where:
bonds (distance) C4'-P energy: -150.846
bonds (distance) P-C4' energy: -148.589
flat angles C4'-P-C4' energy: -158.234
flat angles P-C4'-P energy: -107.976
tors. eta vs tors. theta energy: -230.232
Dist. restrs. and SS energy: 4.382 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -2500.686513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2500.686513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2505.942803 (E_RNA)
where:
Base-Base interactions energy: -1746.963
where: short stacking energy: -719.528
Base-Backbone interact. energy: -0.137
local terms energy: -758.842935
where:
bonds (distance) C4'-P energy: -125.665
bonds (distance) P-C4' energy: -153.060
flat angles C4'-P-C4' energy: -158.464
flat angles P-C4'-P energy: -104.017
tors. eta vs tors. theta energy: -217.637
Dist. restrs. and SS energy: 5.256 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -2423.537854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2423.537854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2430.181461 (E_RNA)
where:
Base-Base interactions energy: -1682.885
where: short stacking energy: -706.741
Base-Backbone interact. energy: -0.109
local terms energy: -747.186608
where:
bonds (distance) C4'-P energy: -123.471
bonds (distance) P-C4' energy: -129.388
flat angles C4'-P-C4' energy: -164.782
flat angles P-C4'-P energy: -108.806
tors. eta vs tors. theta energy: -220.740
Dist. restrs. and SS energy: 6.644 (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: 4
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -2352.091616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2352.091616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2365.564244 (E_RNA)
where:
Base-Base interactions energy: -1645.837
where: short stacking energy: -708.940
Base-Backbone interact. energy: -4.420
local terms energy: -715.307113
where:
bonds (distance) C4'-P energy: -140.657
bonds (distance) P-C4' energy: -140.153
flat angles C4'-P-C4' energy: -152.211
flat angles P-C4'-P energy: -85.774
tors. eta vs tors. theta energy: -196.512
Dist. restrs. and SS energy: 13.473 (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: 9
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -2233.559294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2233.559294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2244.827242 (E_RNA)
where:
Base-Base interactions energy: -1558.279
where: short stacking energy: -650.144
Base-Backbone interact. energy: 9.398
local terms energy: -695.946264
where:
bonds (distance) C4'-P energy: -121.001
bonds (distance) P-C4' energy: -126.263
flat angles C4'-P-C4' energy: -155.994
flat angles P-C4'-P energy: -102.168
tors. eta vs tors. theta energy: -190.520
Dist. restrs. and SS energy: 11.268 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -2087.785840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2087.785840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2107.609889 (E_RNA)
where:
Base-Base interactions energy: -1443.722
where: short stacking energy: -614.476
Base-Backbone interact. energy: -1.985
local terms energy: -661.902993
where:
bonds (distance) C4'-P energy: -133.583
bonds (distance) P-C4' energy: -121.994
flat angles C4'-P-C4' energy: -136.400
flat angles P-C4'-P energy: -84.984
tors. eta vs tors. theta energy: -184.943
Dist. restrs. and SS energy: 19.824 (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: 1
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -2053.113230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2053.113230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2070.815642 (E_RNA)
where:
Base-Base interactions energy: -1441.456
where: short stacking energy: -610.703
Base-Backbone interact. energy: -0.620
local terms energy: -628.740128
where:
bonds (distance) C4'-P energy: -114.706
bonds (distance) P-C4' energy: -125.717
flat angles C4'-P-C4' energy: -137.314
flat angles P-C4'-P energy: -92.529
tors. eta vs tors. theta energy: -158.474
Dist. restrs. and SS energy: 17.702 (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: 244
Temperature: 1.350000
Total energy: -1945.227762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1945.227762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1973.085507 (E_RNA)
where:
Base-Base interactions energy: -1377.690
where: short stacking energy: -573.090
Base-Backbone interact. energy: -3.006
local terms energy: -592.388754
where:
bonds (distance) C4'-P energy: -109.891
bonds (distance) P-C4' energy: -124.321
flat angles C4'-P-C4' energy: -132.975
flat angles P-C4'-P energy: -68.119
tors. eta vs tors. theta energy: -157.083
Dist. restrs. and SS energy: 27.858 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -2793.098823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2793.098823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2797.264025 (E_RNA)
where:
Base-Base interactions energy: -1952.069
where: short stacking energy: -835.029
Base-Backbone interact. energy: -3.793
local terms energy: -841.402300
where:
bonds (distance) C4'-P energy: -145.927
bonds (distance) P-C4' energy: -127.548
flat angles C4'-P-C4' energy: -178.513
flat angles P-C4'-P energy: -133.825
tors. eta vs tors. theta energy: -255.590
Dist. restrs. and SS energy: 4.165 (S_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: 245
Temperature: 0.950000
Total energy: -2681.368809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2681.368809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2687.369709 (E_RNA)
where:
Base-Base interactions energy: -1900.577
where: short stacking energy: -818.954
Base-Backbone interact. energy: 0.498
local terms energy: -787.290502
where:
bonds (distance) C4'-P energy: -133.355
bonds (distance) P-C4' energy: -142.385
flat angles C4'-P-C4' energy: -165.506
flat angles P-C4'-P energy: -113.245
tors. eta vs tors. theta energy: -232.800
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: 245
Temperature: 1.000000
Total energy: -2631.337617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2631.337617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2637.173691 (E_RNA)
where:
Base-Base interactions energy: -1851.494
where: short stacking energy: -777.172
Base-Backbone interact. energy: -3.058
local terms energy: -782.621263
where:
bonds (distance) C4'-P energy: -127.981
bonds (distance) P-C4' energy: -143.848
flat angles C4'-P-C4' energy: -181.586
flat angles P-C4'-P energy: -102.441
tors. eta vs tors. theta energy: -226.765
Dist. restrs. and SS energy: 5.836 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -2512.606104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2512.606104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2517.964547 (E_RNA)
where:
Base-Base interactions energy: -1747.575
where: short stacking energy: -740.826
Base-Backbone interact. energy: -1.450
local terms energy: -768.938716
where:
bonds (distance) C4'-P energy: -135.805
bonds (distance) P-C4' energy: -138.979
flat angles C4'-P-C4' energy: -161.869
flat angles P-C4'-P energy: -110.916
tors. eta vs tors. theta energy: -221.371
Dist. restrs. and SS energy: 5.358 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -2461.116155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2461.116155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2466.137958 (E_RNA)
where:
Base-Base interactions energy: -1720.040
where: short stacking energy: -726.761
Base-Backbone interact. energy: -4.302
local terms energy: -741.795603
where:
bonds (distance) C4'-P energy: -127.561
bonds (distance) P-C4' energy: -128.999
flat angles C4'-P-C4' energy: -148.806
flat angles P-C4'-P energy: -105.853
tors. eta vs tors. theta energy: -230.577
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: 6, replica: 4
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -2378.202297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2378.202297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2388.309148 (E_RNA)
where:
Base-Base interactions energy: -1653.743
where: short stacking energy: -690.816
Base-Backbone interact. energy: -0.694
local terms energy: -733.872954
where:
bonds (distance) C4'-P energy: -132.506
bonds (distance) P-C4' energy: -133.088
flat angles C4'-P-C4' energy: -160.352
flat angles P-C4'-P energy: -100.341
tors. eta vs tors. theta energy: -207.587
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: 9
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -2281.673380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2281.673380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2293.142042 (E_RNA)
where:
Base-Base interactions energy: -1612.815
where: short stacking energy: -653.896
Base-Backbone interact. energy: -2.862
local terms energy: -677.465788
where:
bonds (distance) C4'-P energy: -111.518
bonds (distance) P-C4' energy: -132.988
flat angles C4'-P-C4' energy: -149.551
flat angles P-C4'-P energy: -92.049
tors. eta vs tors. theta energy: -191.359
Dist. restrs. and SS energy: 11.469 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -2105.593245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2105.593245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2122.110201 (E_RNA)
where:
Base-Base interactions energy: -1466.875
where: short stacking energy: -610.506
Base-Backbone interact. energy: -2.756
local terms energy: -652.478764
where:
bonds (distance) C4'-P energy: -119.930
bonds (distance) P-C4' energy: -114.391
flat angles C4'-P-C4' energy: -135.518
flat angles P-C4'-P energy: -91.273
tors. eta vs tors. theta energy: -191.368
Dist. restrs. and SS energy: 16.517 (S_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: 245
Temperature: 1.300000
Total energy: -1996.844846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1996.844846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.068368 (E_RNA)
where:
Base-Base interactions energy: -1425.804
where: short stacking energy: -596.893
Base-Backbone interact. energy: -2.063
local terms energy: -587.200853
where:
bonds (distance) C4'-P energy: -102.314
bonds (distance) P-C4' energy: -105.334
flat angles C4'-P-C4' energy: -129.458
flat angles P-C4'-P energy: -88.434
tors. eta vs tors. theta energy: -161.661
Dist. restrs. and SS energy: 18.224 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -1968.857127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1968.857127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.892576 (E_RNA)
where:
Base-Base interactions energy: -1433.671
where: short stacking energy: -595.697
Base-Backbone interact. energy: 4.813
local terms energy: -568.034615
where:
bonds (distance) C4'-P energy: -108.075
bonds (distance) P-C4' energy: -100.629
flat angles C4'-P-C4' energy: -121.159
flat angles P-C4'-P energy: -62.839
tors. eta vs tors. theta energy: -175.333
Dist. restrs. and SS energy: 28.035 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -2766.324856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2766.324856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2770.736927 (E_RNA)
where:
Base-Base interactions energy: -1945.360
where: short stacking energy: -821.519
Base-Backbone interact. energy: -3.473
local terms energy: -821.904526
where:
bonds (distance) C4'-P energy: -139.979
bonds (distance) P-C4' energy: -140.231
flat angles C4'-P-C4' energy: -177.450
flat angles P-C4'-P energy: -120.592
tors. eta vs tors. theta energy: -243.652
Dist. restrs. and SS energy: 4.412 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -2695.792386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2695.792386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2700.699691 (E_RNA)
where:
Base-Base interactions energy: -1875.319
where: short stacking energy: -791.283
Base-Backbone interact. energy: 0.563
local terms energy: -825.943141
where:
bonds (distance) C4'-P energy: -149.754
bonds (distance) P-C4' energy: -153.925
flat angles C4'-P-C4' energy: -174.391
flat angles P-C4'-P energy: -105.046
tors. eta vs tors. theta energy: -242.828
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: 3, replica: 8
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -2628.144054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2628.144054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2631.884695 (E_RNA)
where:
Base-Base interactions energy: -1869.363
where: short stacking energy: -813.857
Base-Backbone interact. energy: -0.646
local terms energy: -761.876367
where:
bonds (distance) C4'-P energy: -135.961
bonds (distance) P-C4' energy: -132.181
flat angles C4'-P-C4' energy: -166.616
flat angles P-C4'-P energy: -96.758
tors. eta vs tors. theta energy: -230.360
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: 4, replica: 10
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -2512.885402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2512.885402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2520.002871 (E_RNA)
where:
Base-Base interactions energy: -1767.466
where: short stacking energy: -737.538
Base-Backbone interact. energy: -2.443
local terms energy: -750.093621
where:
bonds (distance) C4'-P energy: -139.257
bonds (distance) P-C4' energy: -116.473
flat angles C4'-P-C4' energy: -166.657
flat angles P-C4'-P energy: -113.273
tors. eta vs tors. theta energy: -214.434
Dist. restrs. and SS energy: 7.117 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -2454.950414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2454.950414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2460.688587 (E_RNA)
where:
Base-Base interactions energy: -1755.368
where: short stacking energy: -736.132
Base-Backbone interact. energy: -3.007
local terms energy: -702.313854
where:
bonds (distance) C4'-P energy: -118.562
bonds (distance) P-C4' energy: -109.463
flat angles C4'-P-C4' energy: -158.415
flat angles P-C4'-P energy: -99.674
tors. eta vs tors. theta energy: -216.200
Dist. restrs. and SS energy: 5.738 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -2345.979313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2345.979313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2357.903047 (E_RNA)
where:
Base-Base interactions energy: -1642.764
where: short stacking energy: -690.839
Base-Backbone interact. energy: -2.776
local terms energy: -712.362630
where:
bonds (distance) C4'-P energy: -126.808
bonds (distance) P-C4' energy: -135.269
flat angles C4'-P-C4' energy: -153.650
flat angles P-C4'-P energy: -91.004
tors. eta vs tors. theta energy: -205.632
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: 7, replica: 9
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -2267.226738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2267.226738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2276.401822 (E_RNA)
where:
Base-Base interactions energy: -1606.792
where: short stacking energy: -671.489
Base-Backbone interact. energy: -1.970
local terms energy: -667.639329
where:
bonds (distance) C4'-P energy: -111.162
bonds (distance) P-C4' energy: -111.854
flat angles C4'-P-C4' energy: -142.265
flat angles P-C4'-P energy: -106.066
tors. eta vs tors. theta energy: -196.292
Dist. restrs. and SS energy: 9.175 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -2078.076611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2078.076611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2097.592355 (E_RNA)
where:
Base-Base interactions energy: -1463.225
where: short stacking energy: -640.480
Base-Backbone interact. energy: -2.873
local terms energy: -631.495083
where:
bonds (distance) C4'-P energy: -107.744
bonds (distance) P-C4' energy: -111.454
flat angles C4'-P-C4' energy: -140.288
flat angles P-C4'-P energy: -86.814
tors. eta vs tors. theta energy: -185.196
Dist. restrs. and SS energy: 19.516 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -2076.302251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2076.302251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.018787 (E_RNA)
where:
Base-Base interactions energy: -1464.566
where: short stacking energy: -605.938
Base-Backbone interact. energy: -0.526
local terms energy: -622.927225
where:
bonds (distance) C4'-P energy: -108.032
bonds (distance) P-C4' energy: -125.057
flat angles C4'-P-C4' energy: -132.066
flat angles P-C4'-P energy: -81.485
tors. eta vs tors. theta energy: -176.288
Dist. restrs. and SS energy: 11.717 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -1935.962386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1935.962386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.997509 (E_RNA)
where:
Base-Base interactions energy: -1372.111
where: short stacking energy: -539.550
Base-Backbone interact. energy: -1.722
local terms energy: -576.164449
where:
bonds (distance) C4'-P energy: -97.108
bonds (distance) P-C4' energy: -107.944
flat angles C4'-P-C4' energy: -147.186
flat angles P-C4'-P energy: -71.320
tors. eta vs tors. theta energy: -152.606
Dist. restrs. and SS energy: 14.035 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -2783.153221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2783.153221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2786.310376 (E_RNA)
where:
Base-Base interactions energy: -1955.987
where: short stacking energy: -824.785
Base-Backbone interact. energy: -2.314
local terms energy: -828.009747
where:
bonds (distance) C4'-P energy: -148.938
bonds (distance) P-C4' energy: -134.996
flat angles C4'-P-C4' energy: -172.983
flat angles P-C4'-P energy: -123.664
tors. eta vs tors. theta energy: -247.429
Dist. restrs. and SS energy: 3.157 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -2711.071552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2711.071552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2715.573837 (E_RNA)
where:
Base-Base interactions energy: -1875.490
where: short stacking energy: -792.993
Base-Backbone interact. energy: -0.804
local terms energy: -839.279799
where:
bonds (distance) C4'-P energy: -155.214
bonds (distance) P-C4' energy: -152.651
flat angles C4'-P-C4' energy: -165.998
flat angles P-C4'-P energy: -123.658
tors. eta vs tors. theta energy: -241.758
Dist. restrs. and SS energy: 4.502 (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: 8
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -2606.789859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2606.789859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2610.688135 (E_RNA)
where:
Base-Base interactions energy: -1818.871
where: short stacking energy: -772.166
Base-Backbone interact. energy: -2.645
local terms energy: -789.171911
where:
bonds (distance) C4'-P energy: -143.290
bonds (distance) P-C4' energy: -142.047
flat angles C4'-P-C4' energy: -163.201
flat angles P-C4'-P energy: -106.776
tors. eta vs tors. theta energy: -233.857
Dist. restrs. and SS energy: 3.898 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -2485.306799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2485.306799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2493.414690 (E_RNA)
where:
Base-Base interactions energy: -1712.078
where: short stacking energy: -715.324
Base-Backbone interact. energy: -1.802
local terms energy: -779.534710
where:
bonds (distance) C4'-P energy: -140.481
bonds (distance) P-C4' energy: -137.112
flat angles C4'-P-C4' energy: -167.988
flat angles P-C4'-P energy: -115.141
tors. eta vs tors. theta energy: -218.813
Dist. restrs. and SS energy: 8.108 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -2460.520940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2460.520940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2467.430982 (E_RNA)
where:
Base-Base interactions energy: -1721.984
where: short stacking energy: -721.361
Base-Backbone interact. energy: -3.933
local terms energy: -741.513714
where:
bonds (distance) C4'-P energy: -127.145
bonds (distance) P-C4' energy: -139.069
flat angles C4'-P-C4' energy: -151.485
flat angles P-C4'-P energy: -106.947
tors. eta vs tors. theta energy: -216.868
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: 6, replica: 4
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -2317.473909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2317.473909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2325.188998 (E_RNA)
where:
Base-Base interactions energy: -1638.508
where: short stacking energy: -667.959
Base-Backbone interact. energy: 2.456
local terms energy: -689.136994
where:
bonds (distance) C4'-P energy: -119.183
bonds (distance) P-C4' energy: -135.794
flat angles C4'-P-C4' energy: -135.358
flat angles P-C4'-P energy: -97.186
tors. eta vs tors. theta energy: -201.616
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: 7, replica: 9
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -2244.484904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2244.484904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2254.428716 (E_RNA)
where:
Base-Base interactions energy: -1606.920
where: short stacking energy: -658.871
Base-Backbone interact. energy: -4.369
local terms energy: -643.139509
where:
bonds (distance) C4'-P energy: -109.344
bonds (distance) P-C4' energy: -118.816
flat angles C4'-P-C4' energy: -148.280
flat angles P-C4'-P energy: -73.682
tors. eta vs tors. theta energy: -193.017
Dist. restrs. and SS energy: 9.944 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -2128.601556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2128.601556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2151.246485 (E_RNA)
where:
Base-Base interactions energy: -1487.914
where: short stacking energy: -663.688
Base-Backbone interact. energy: -2.116
local terms energy: -661.217056
where:
bonds (distance) C4'-P energy: -122.310
bonds (distance) P-C4' energy: -132.991
flat angles C4'-P-C4' energy: -128.748
flat angles P-C4'-P energy: -81.458
tors. eta vs tors. theta energy: -195.709
Dist. restrs. and SS energy: 22.645 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -2032.110405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2032.110405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2047.749535 (E_RNA)
where:
Base-Base interactions energy: -1431.211
where: short stacking energy: -604.841
Base-Backbone interact. energy: -4.955
local terms energy: -611.584106
where:
bonds (distance) C4'-P energy: -100.961
bonds (distance) P-C4' energy: -134.258
flat angles C4'-P-C4' energy: -131.174
flat angles P-C4'-P energy: -79.094
tors. eta vs tors. theta energy: -166.098
Dist. restrs. and SS energy: 15.639 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -1919.989591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.989591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1945.497523 (E_RNA)
where:
Base-Base interactions energy: -1363.398
where: short stacking energy: -542.354
Base-Backbone interact. energy: -3.293
local terms energy: -578.806370
where:
bonds (distance) C4'-P energy: -95.002
bonds (distance) P-C4' energy: -119.255
flat angles C4'-P-C4' energy: -143.100
flat angles P-C4'-P energy: -90.304
tors. eta vs tors. theta energy: -131.146
Dist. restrs. and SS energy: 25.508 (S_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: 248
Temperature: 0.900000
Total energy: -2774.689157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2774.689157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2776.818180 (E_RNA)
where:
Base-Base interactions energy: -1970.648
where: short stacking energy: -818.156
Base-Backbone interact. energy: -3.602
local terms energy: -802.567439
where:
bonds (distance) C4'-P energy: -137.342
bonds (distance) P-C4' energy: -144.578
flat angles C4'-P-C4' energy: -154.109
flat angles P-C4'-P energy: -112.822
tors. eta vs tors. theta energy: -253.717
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: 5
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -2692.254349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2692.254349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2697.005649 (E_RNA)
where:
Base-Base interactions energy: -1891.214
where: short stacking energy: -792.354
Base-Backbone interact. energy: -0.296
local terms energy: -805.495194
where:
bonds (distance) C4'-P energy: -133.265
bonds (distance) P-C4' energy: -144.954
flat angles C4'-P-C4' energy: -161.049
flat angles P-C4'-P energy: -125.765
tors. eta vs tors. theta energy: -240.461
Dist. restrs. and SS energy: 4.751 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -2597.827282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2597.827282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2602.587260 (E_RNA)
where:
Base-Base interactions energy: -1837.645
where: short stacking energy: -765.286
Base-Backbone interact. energy: -1.645
local terms energy: -763.297125
where:
bonds (distance) C4'-P energy: -142.710
bonds (distance) P-C4' energy: -122.266
flat angles C4'-P-C4' energy: -152.674
flat angles P-C4'-P energy: -116.747
tors. eta vs tors. theta energy: -228.899
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: 248
Temperature: 1.050000
Total energy: -2465.409905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2465.409905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2475.887993 (E_RNA)
where:
Base-Base interactions energy: -1720.271
where: short stacking energy: -722.106
Base-Backbone interact. energy: -1.630
local terms energy: -753.986304
where:
bonds (distance) C4'-P energy: -128.432
bonds (distance) P-C4' energy: -135.201
flat angles C4'-P-C4' energy: -162.150
flat angles P-C4'-P energy: -110.721
tors. eta vs tors. theta energy: -217.482
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: 5, replica: 3
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -2443.240513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2443.240513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2448.358688 (E_RNA)
where:
Base-Base interactions energy: -1705.769
where: short stacking energy: -735.098
Base-Backbone interact. energy: -2.210
local terms energy: -740.379007
where:
bonds (distance) C4'-P energy: -130.670
bonds (distance) P-C4' energy: -126.207
flat angles C4'-P-C4' energy: -149.534
flat angles P-C4'-P energy: -115.532
tors. eta vs tors. theta energy: -218.436
Dist. restrs. and SS energy: 5.118 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -2376.905901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2376.905901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2389.496134 (E_RNA)
where:
Base-Base interactions energy: -1659.795
where: short stacking energy: -682.538
Base-Backbone interact. energy: 4.303
local terms energy: -734.003625
where:
bonds (distance) C4'-P energy: -123.532
bonds (distance) P-C4' energy: -153.915
flat angles C4'-P-C4' energy: -154.971
flat angles P-C4'-P energy: -90.529
tors. eta vs tors. theta energy: -211.056
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: 7, replica: 9
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -2212.124826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2212.124826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2223.155702 (E_RNA)
where:
Base-Base interactions energy: -1541.197
where: short stacking energy: -634.517
Base-Backbone interact. energy: -0.109
local terms energy: -681.850136
where:
bonds (distance) C4'-P energy: -136.127
bonds (distance) P-C4' energy: -128.832
flat angles C4'-P-C4' energy: -138.058
flat angles P-C4'-P energy: -90.082
tors. eta vs tors. theta energy: -188.751
Dist. restrs. and SS energy: 11.031 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -2129.263430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2129.263430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2143.636149 (E_RNA)
where:
Base-Base interactions energy: -1505.205
where: short stacking energy: -603.932
Base-Backbone interact. energy: -2.203
local terms energy: -636.228199
where:
bonds (distance) C4'-P energy: -103.744
bonds (distance) P-C4' energy: -116.145
flat angles C4'-P-C4' energy: -143.014
flat angles P-C4'-P energy: -93.879
tors. eta vs tors. theta energy: -179.445
Dist. restrs. and SS energy: 14.373 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -2063.231099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2063.231099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2084.134927 (E_RNA)
where:
Base-Base interactions energy: -1443.288
where: short stacking energy: -603.550
Base-Backbone interact. energy: -1.544
local terms energy: -639.302960
where:
bonds (distance) C4'-P energy: -117.360
bonds (distance) P-C4' energy: -131.231
flat angles C4'-P-C4' energy: -120.714
flat angles P-C4'-P energy: -98.710
tors. eta vs tors. theta energy: -171.287
Dist. restrs. and SS energy: 20.904 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -1878.893568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.893568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1903.350961 (E_RNA)
where:
Base-Base interactions energy: -1335.746
where: short stacking energy: -538.245
Base-Backbone interact. energy: 0.383
local terms energy: -567.988282
where:
bonds (distance) C4'-P energy: -98.084
bonds (distance) P-C4' energy: -126.544
flat angles C4'-P-C4' energy: -119.356
flat angles P-C4'-P energy: -86.740
tors. eta vs tors. theta energy: -137.264
Dist. restrs. and SS energy: 24.457 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -2765.558291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2765.558291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2769.002231 (E_RNA)
where:
Base-Base interactions energy: -1950.113
where: short stacking energy: -825.238
Base-Backbone interact. energy: -1.536
local terms energy: -817.353740
where:
bonds (distance) C4'-P energy: -135.114
bonds (distance) P-C4' energy: -148.765
flat angles C4'-P-C4' energy: -168.540
flat angles P-C4'-P energy: -114.961
tors. eta vs tors. theta energy: -249.974
Dist. restrs. and SS energy: 3.444 (S_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: 249
Temperature: 0.950000
Total energy: -2761.391053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2761.391053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2766.224249 (E_RNA)
where:
Base-Base interactions energy: -1950.131
where: short stacking energy: -816.243
Base-Backbone interact. energy: 0.385
local terms energy: -816.479031
where:
bonds (distance) C4'-P energy: -140.835
bonds (distance) P-C4' energy: -144.489
flat angles C4'-P-C4' energy: -177.220
flat angles P-C4'-P energy: -111.598
tors. eta vs tors. theta energy: -242.338
Dist. restrs. and SS energy: 4.833 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -2612.434586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2612.434586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2619.076322 (E_RNA)
where:
Base-Base interactions energy: -1826.333
where: short stacking energy: -772.248
Base-Backbone interact. energy: -3.388
local terms energy: -789.355631
where:
bonds (distance) C4'-P energy: -146.233
bonds (distance) P-C4' energy: -139.015
flat angles C4'-P-C4' energy: -167.554
flat angles P-C4'-P energy: -114.723
tors. eta vs tors. theta energy: -221.831
Dist. restrs. and SS energy: 6.642 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -2499.146236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2499.146236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2505.240157 (E_RNA)
where:
Base-Base interactions energy: -1734.520
where: short stacking energy: -752.129
Base-Backbone interact. energy: -2.363
local terms energy: -768.357007
where:
bonds (distance) C4'-P energy: -119.343
bonds (distance) P-C4' energy: -144.352
flat angles C4'-P-C4' energy: -164.412
flat angles P-C4'-P energy: -118.535
tors. eta vs tors. theta energy: -221.715
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: 5, replica: 10
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -2465.586128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2465.586128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2471.763881 (E_RNA)
where:
Base-Base interactions energy: -1735.244
where: short stacking energy: -738.429
Base-Backbone interact. energy: -1.831
local terms energy: -734.688355
where:
bonds (distance) C4'-P energy: -130.852
bonds (distance) P-C4' energy: -133.836
flat angles C4'-P-C4' energy: -153.809
flat angles P-C4'-P energy: -90.770
tors. eta vs tors. theta energy: -225.420
Dist. restrs. and SS energy: 6.178 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -2402.175614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2402.175614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2416.415463 (E_RNA)
where:
Base-Base interactions energy: -1685.774
where: short stacking energy: -710.468
Base-Backbone interact. energy: -0.336
local terms energy: -730.305614
where:
bonds (distance) C4'-P energy: -123.040
bonds (distance) P-C4' energy: -139.889
flat angles C4'-P-C4' energy: -161.863
flat angles P-C4'-P energy: -102.056
tors. eta vs tors. theta energy: -203.458
Dist. restrs. and SS energy: 14.240 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -2238.460973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2238.460973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2246.968258 (E_RNA)
where:
Base-Base interactions energy: -1574.390
where: short stacking energy: -627.624
Base-Backbone interact. energy: -3.810
local terms energy: -668.767904
where:
bonds (distance) C4'-P energy: -112.759
bonds (distance) P-C4' energy: -124.577
flat angles C4'-P-C4' energy: -150.773
flat angles P-C4'-P energy: -98.894
tors. eta vs tors. theta energy: -181.764
Dist. restrs. and SS energy: 8.507 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -2160.237278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2160.237278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2185.209679 (E_RNA)
where:
Base-Base interactions energy: -1540.651
where: short stacking energy: -657.333
Base-Backbone interact. energy: -4.431
local terms energy: -640.127240
where:
bonds (distance) C4'-P energy: -112.223
bonds (distance) P-C4' energy: -103.641
flat angles C4'-P-C4' energy: -144.766
flat angles P-C4'-P energy: -89.668
tors. eta vs tors. theta energy: -189.831
Dist. restrs. and SS energy: 24.972 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -2071.503857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2071.503857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2090.828846 (E_RNA)
where:
Base-Base interactions energy: -1462.073
where: short stacking energy: -609.694
Base-Backbone interact. energy: 1.445
local terms energy: -630.200840
where:
bonds (distance) C4'-P energy: -115.014
bonds (distance) P-C4' energy: -111.929
flat angles C4'-P-C4' energy: -142.552
flat angles P-C4'-P energy: -76.226
tors. eta vs tors. theta energy: -184.480
Dist. restrs. and SS energy: 19.325 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -1901.092542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1901.092542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.562871 (E_RNA)
where:
Base-Base interactions energy: -1312.878
where: short stacking energy: -514.283
Base-Backbone interact. energy: 2.650
local terms energy: -604.334343
where:
bonds (distance) C4'-P energy: -110.595
bonds (distance) P-C4' energy: -128.946
flat angles C4'-P-C4' energy: -135.705
flat angles P-C4'-P energy: -77.303
tors. eta vs tors. theta energy: -151.785
Dist. restrs. and SS energy: 13.470 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -2719.410763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2719.410763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2722.075225 (E_RNA)
where:
Base-Base interactions energy: -1899.399
where: short stacking energy: -808.233
Base-Backbone interact. energy: -1.205
local terms energy: -821.471270
where:
bonds (distance) C4'-P energy: -138.230
bonds (distance) P-C4' energy: -140.685
flat angles C4'-P-C4' energy: -169.179
flat angles P-C4'-P energy: -128.587
tors. eta vs tors. theta energy: -244.790
Dist. restrs. and SS energy: 2.664 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -2676.486230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2676.486230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2680.557748 (E_RNA)
where:
Base-Base interactions energy: -1882.039
where: short stacking energy: -798.443
Base-Backbone interact. energy: -4.490
local terms energy: -794.029159
where:
bonds (distance) C4'-P energy: -134.032
bonds (distance) P-C4' energy: -152.895
flat angles C4'-P-C4' energy: -161.100
flat angles P-C4'-P energy: -109.407
tors. eta vs tors. theta energy: -236.595
Dist. restrs. and SS energy: 4.072 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -2610.678188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2610.678188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2614.023216 (E_RNA)
where:
Base-Base interactions energy: -1833.035
where: short stacking energy: -787.820
Base-Backbone interact. energy: -2.013
local terms energy: -778.975735
where:
bonds (distance) C4'-P energy: -134.624
bonds (distance) P-C4' energy: -129.724
flat angles C4'-P-C4' energy: -174.002
flat angles P-C4'-P energy: -101.037
tors. eta vs tors. theta energy: -239.588
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: 4, replica: 3
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -2493.102428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2493.102428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2497.336207 (E_RNA)
where:
Base-Base interactions energy: -1727.238
where: short stacking energy: -735.733
Base-Backbone interact. energy: 0.766
local terms energy: -770.864402
where:
bonds (distance) C4'-P energy: -144.917
bonds (distance) P-C4' energy: -142.227
flat angles C4'-P-C4' energy: -159.593
flat angles P-C4'-P energy: -102.034
tors. eta vs tors. theta energy: -222.094
Dist. restrs. and SS energy: 4.234 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -2426.958613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2426.958613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2432.120639 (E_RNA)
where:
Base-Base interactions energy: -1701.449
where: short stacking energy: -703.692
Base-Backbone interact. energy: -5.065
local terms energy: -725.606666
where:
bonds (distance) C4'-P energy: -121.222
bonds (distance) P-C4' energy: -127.074
flat angles C4'-P-C4' energy: -166.710
flat angles P-C4'-P energy: -100.337
tors. eta vs tors. theta energy: -210.264
Dist. restrs. and SS energy: 5.162 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -2357.011322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2357.011322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2369.079723 (E_RNA)
where:
Base-Base interactions energy: -1663.525
where: short stacking energy: -689.518
Base-Backbone interact. energy: -0.566
local terms energy: -704.989409
where:
bonds (distance) C4'-P energy: -118.248
bonds (distance) P-C4' energy: -133.516
flat angles C4'-P-C4' energy: -158.173
flat angles P-C4'-P energy: -96.097
tors. eta vs tors. theta energy: -198.955
Dist. restrs. and SS energy: 12.068 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -2249.658707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2249.658707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2262.981284 (E_RNA)
where:
Base-Base interactions energy: -1594.914
where: short stacking energy: -667.313
Base-Backbone interact. energy: -2.348
local terms energy: -665.719802
where:
bonds (distance) C4'-P energy: -131.463
bonds (distance) P-C4' energy: -118.013
flat angles C4'-P-C4' energy: -125.841
flat angles P-C4'-P energy: -90.672
tors. eta vs tors. theta energy: -199.731
Dist. restrs. and SS energy: 13.323 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -2150.972924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2150.972924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2162.542263 (E_RNA)
where:
Base-Base interactions energy: -1519.669
where: short stacking energy: -622.394
Base-Backbone interact. energy: -0.264
local terms energy: -642.609418
where:
bonds (distance) C4'-P energy: -126.266
bonds (distance) P-C4' energy: -120.430
flat angles C4'-P-C4' energy: -148.452
flat angles P-C4'-P energy: -72.599
tors. eta vs tors. theta energy: -174.863
Dist. restrs. and SS energy: 11.569 (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: 250
Temperature: 1.300000
Total energy: -2053.528629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2053.528629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2070.774260 (E_RNA)
where:
Base-Base interactions energy: -1465.203
where: short stacking energy: -626.658
Base-Backbone interact. energy: -1.687
local terms energy: -603.884245
where:
bonds (distance) C4'-P energy: -96.817
bonds (distance) P-C4' energy: -111.994
flat angles C4'-P-C4' energy: -135.339
flat angles P-C4'-P energy: -78.966
tors. eta vs tors. theta energy: -180.768
Dist. restrs. and SS energy: 17.246 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -1908.455244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.455244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1927.877133 (E_RNA)
where:
Base-Base interactions energy: -1350.967
where: short stacking energy: -583.274
Base-Backbone interact. energy: -1.600
local terms energy: -575.309867
where:
bonds (distance) C4'-P energy: -91.667
bonds (distance) P-C4' energy: -123.442
flat angles C4'-P-C4' energy: -135.084
flat angles P-C4'-P energy: -69.087
tors. eta vs tors. theta energy: -156.030
Dist. restrs. and SS energy: 19.422 (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: 2
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -2741.877328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2741.877328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2745.612528 (E_RNA)
where:
Base-Base interactions energy: -1920.635
where: short stacking energy: -835.126
Base-Backbone interact. energy: -2.706
local terms energy: -822.270856
where:
bonds (distance) C4'-P energy: -138.947
bonds (distance) P-C4' energy: -138.420
flat angles C4'-P-C4' energy: -170.578
flat angles P-C4'-P energy: -123.341
tors. eta vs tors. theta energy: -250.985
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: 2, replica: 8
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -2663.624943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2663.624943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2668.010140 (E_RNA)
where:
Base-Base interactions energy: -1840.412
where: short stacking energy: -777.177
Base-Backbone interact. energy: -3.459
local terms energy: -824.139476
where:
bonds (distance) C4'-P energy: -144.148
bonds (distance) P-C4' energy: -145.446
flat angles C4'-P-C4' energy: -176.794
flat angles P-C4'-P energy: -125.548
tors. eta vs tors. theta energy: -232.203
Dist. restrs. and SS energy: 4.385 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -2625.973499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2625.973499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2630.696249 (E_RNA)
where:
Base-Base interactions energy: -1829.920
where: short stacking energy: -792.762
Base-Backbone interact. energy: -2.985
local terms energy: -797.791288
where:
bonds (distance) C4'-P energy: -137.982
bonds (distance) P-C4' energy: -136.961
flat angles C4'-P-C4' energy: -173.832
flat angles P-C4'-P energy: -108.877
tors. eta vs tors. theta energy: -240.139
Dist. restrs. and SS energy: 4.723 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -2496.347711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2496.347711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2506.427460 (E_RNA)
where:
Base-Base interactions energy: -1757.130
where: short stacking energy: -745.459
Base-Backbone interact. energy: -1.746
local terms energy: -747.550629
where:
bonds (distance) C4'-P energy: -112.378
bonds (distance) P-C4' energy: -135.433
flat angles C4'-P-C4' energy: -168.463
flat angles P-C4'-P energy: -106.845
tors. eta vs tors. theta energy: -224.432
Dist. restrs. and SS energy: 10.080 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -2436.993897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2436.993897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2444.126075 (E_RNA)
where:
Base-Base interactions energy: -1689.139
where: short stacking energy: -739.296
Base-Backbone interact. energy: -5.195
local terms energy: -749.792785
where:
bonds (distance) C4'-P energy: -138.040
bonds (distance) P-C4' energy: -132.875
flat angles C4'-P-C4' energy: -154.425
flat angles P-C4'-P energy: -107.061
tors. eta vs tors. theta energy: -217.391
Dist. restrs. and SS energy: 7.132 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -2334.331644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2334.331644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2345.672529 (E_RNA)
where:
Base-Base interactions energy: -1641.062
where: short stacking energy: -693.929
Base-Backbone interact. energy: 1.800
local terms energy: -706.410495
where:
bonds (distance) C4'-P energy: -119.028
bonds (distance) P-C4' energy: -121.107
flat angles C4'-P-C4' energy: -163.963
flat angles P-C4'-P energy: -99.970
tors. eta vs tors. theta energy: -202.342
Dist. restrs. and SS energy: 11.341 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -2216.299154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2216.299154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2230.897096 (E_RNA)
where:
Base-Base interactions energy: -1568.683
where: short stacking energy: -688.068
Base-Backbone interact. energy: -0.316
local terms energy: -661.897388
where:
bonds (distance) C4'-P energy: -106.244
bonds (distance) P-C4' energy: -108.812
flat angles C4'-P-C4' energy: -145.631
flat angles P-C4'-P energy: -94.452
tors. eta vs tors. theta energy: -206.759
Dist. restrs. and SS energy: 14.598 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -2170.059053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2170.059053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2185.675556 (E_RNA)
where:
Base-Base interactions energy: -1516.343
where: short stacking energy: -625.717
Base-Backbone interact. energy: -1.515
local terms energy: -667.816930
where:
bonds (distance) C4'-P energy: -131.843
bonds (distance) P-C4' energy: -123.575
flat angles C4'-P-C4' energy: -133.505
flat angles P-C4'-P energy: -89.776
tors. eta vs tors. theta energy: -189.119
Dist. restrs. and SS energy: 15.617 (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: 6
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -2048.368162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2048.368162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2065.910351 (E_RNA)
where:
Base-Base interactions energy: -1463.778
where: short stacking energy: -650.532
Base-Backbone interact. energy: -0.432
local terms energy: -601.700114
where:
bonds (distance) C4'-P energy: -106.952
bonds (distance) P-C4' energy: -111.550
flat angles C4'-P-C4' energy: -132.919
flat angles P-C4'-P energy: -82.087
tors. eta vs tors. theta energy: -168.191
Dist. restrs. and SS energy: 17.542 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -1889.518005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1889.518005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1915.174977 (E_RNA)
where:
Base-Base interactions energy: -1350.010
where: short stacking energy: -569.208
Base-Backbone interact. energy: -2.508
local terms energy: -562.656468
where:
bonds (distance) C4'-P energy: -97.818
bonds (distance) P-C4' energy: -98.635
flat angles C4'-P-C4' energy: -143.376
flat angles P-C4'-P energy: -76.727
tors. eta vs tors. theta energy: -146.100
Dist. restrs. and SS energy: 25.657 (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: 2
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -2725.685390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2725.685390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2728.467770 (E_RNA)
where:
Base-Base interactions energy: -1891.134
where: short stacking energy: -786.921
Base-Backbone interact. energy: -2.220
local terms energy: -835.114147
where:
bonds (distance) C4'-P energy: -143.444
bonds (distance) P-C4' energy: -159.857
flat angles C4'-P-C4' energy: -167.142
flat angles P-C4'-P energy: -128.816
tors. eta vs tors. theta energy: -235.855
Dist. restrs. and SS energy: 2.782 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -2658.703792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2658.703792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2664.447104 (E_RNA)
where:
Base-Base interactions energy: -1857.140
where: short stacking energy: -801.858
Base-Backbone interact. energy: -3.279
local terms energy: -804.028368
where:
bonds (distance) C4'-P energy: -136.083
bonds (distance) P-C4' energy: -142.883
flat angles C4'-P-C4' energy: -170.577
flat angles P-C4'-P energy: -117.538
tors. eta vs tors. theta energy: -236.947
Dist. restrs. and SS energy: 5.743 (S_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: 252
Temperature: 1.000000
Total energy: -2609.716960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2609.716960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2615.436707 (E_RNA)
where:
Base-Base interactions energy: -1838.261
where: short stacking energy: -781.208
Base-Backbone interact. energy: -0.166
local terms energy: -777.008865
where:
bonds (distance) C4'-P energy: -124.299
bonds (distance) P-C4' energy: -138.999
flat angles C4'-P-C4' energy: -164.440
flat angles P-C4'-P energy: -113.071
tors. eta vs tors. theta energy: -236.200
Dist. restrs. and SS energy: 5.720 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -2526.093444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2526.093444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2530.951059 (E_RNA)
where:
Base-Base interactions energy: -1765.544
where: short stacking energy: -733.304
Base-Backbone interact. energy: 3.605
local terms energy: -769.011251
where:
bonds (distance) C4'-P energy: -136.730
bonds (distance) P-C4' energy: -155.308
flat angles C4'-P-C4' energy: -155.648
flat angles P-C4'-P energy: -107.844
tors. eta vs tors. theta energy: -213.481
Dist. restrs. and SS energy: 4.858 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -2438.081011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2438.081011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2443.981985 (E_RNA)
where:
Base-Base interactions energy: -1728.048
where: short stacking energy: -717.341
Base-Backbone interact. energy: -3.557
local terms energy: -712.376807
where:
bonds (distance) C4'-P energy: -138.266
bonds (distance) P-C4' energy: -119.698
flat angles C4'-P-C4' energy: -154.848
flat angles P-C4'-P energy: -89.846
tors. eta vs tors. theta energy: -209.719
Dist. restrs. and SS energy: 5.901 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -2342.264321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2342.264321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2356.194323 (E_RNA)
where:
Base-Base interactions energy: -1612.516
where: short stacking energy: -690.451
Base-Backbone interact. energy: -3.652
local terms energy: -740.026791
where:
bonds (distance) C4'-P energy: -139.587
bonds (distance) P-C4' energy: -129.196
flat angles C4'-P-C4' energy: -150.223
flat angles P-C4'-P energy: -104.134
tors. eta vs tors. theta energy: -216.889
Dist. restrs. and SS energy: 13.930 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -2236.331119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2236.331119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2249.350848 (E_RNA)
where:
Base-Base interactions energy: -1572.771
where: short stacking energy: -654.584
Base-Backbone interact. energy: -0.901
local terms energy: -675.678316
where:
bonds (distance) C4'-P energy: -134.010
bonds (distance) P-C4' energy: -102.028
flat angles C4'-P-C4' energy: -155.778
flat angles P-C4'-P energy: -96.962
tors. eta vs tors. theta energy: -186.901
Dist. restrs. and SS energy: 13.020 (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: 7
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -2169.244322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2169.244322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2183.391391 (E_RNA)
where:
Base-Base interactions energy: -1529.917
where: short stacking energy: -639.909
Base-Backbone interact. energy: 0.913
local terms energy: -654.387918
where:
bonds (distance) C4'-P energy: -126.244
bonds (distance) P-C4' energy: -112.161
flat angles C4'-P-C4' energy: -153.668
flat angles P-C4'-P energy: -67.638
tors. eta vs tors. theta energy: -194.677
Dist. restrs. and SS energy: 14.147 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -2068.017342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2068.017342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2085.821275 (E_RNA)
where:
Base-Base interactions energy: -1471.777
where: short stacking energy: -623.420
Base-Backbone interact. energy: -4.293
local terms energy: -609.751754
where:
bonds (distance) C4'-P energy: -104.560
bonds (distance) P-C4' energy: -113.218
flat angles C4'-P-C4' energy: -122.342
flat angles P-C4'-P energy: -88.879
tors. eta vs tors. theta energy: -180.752
Dist. restrs. and SS energy: 17.804 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -1904.100430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1904.100430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.006984 (E_RNA)
where:
Base-Base interactions energy: -1369.439
where: short stacking energy: -548.422
Base-Backbone interact. energy: 0.153
local terms energy: -547.721123
where:
bonds (distance) C4'-P energy: -108.536
bonds (distance) P-C4' energy: -104.556
flat angles C4'-P-C4' energy: -125.670
flat angles P-C4'-P energy: -70.754
tors. eta vs tors. theta energy: -138.205
Dist. restrs. and SS energy: 12.907 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -2767.829950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2767.829950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2770.129025 (E_RNA)
where:
Base-Base interactions energy: -1962.095
where: short stacking energy: -813.844
Base-Backbone interact. energy: -3.280
local terms energy: -804.754751
where:
bonds (distance) C4'-P energy: -136.702
bonds (distance) P-C4' energy: -135.480
flat angles C4'-P-C4' energy: -171.747
flat angles P-C4'-P energy: -124.546
tors. eta vs tors. theta energy: -236.279
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: 2, replica: 8
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -2706.729071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2706.729071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2710.264166 (E_RNA)
where:
Base-Base interactions energy: -1904.852
where: short stacking energy: -798.983
Base-Backbone interact. energy: -1.393
local terms energy: -804.019288
where:
bonds (distance) C4'-P energy: -144.199
bonds (distance) P-C4' energy: -138.244
flat angles C4'-P-C4' energy: -172.272
flat angles P-C4'-P energy: -120.493
tors. eta vs tors. theta energy: -228.812
Dist. restrs. and SS energy: 3.535 (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: 5
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -2616.596755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2616.596755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2621.516800 (E_RNA)
where:
Base-Base interactions energy: -1838.834
where: short stacking energy: -799.035
Base-Backbone interact. energy: -4.862
local terms energy: -777.821165
where:
bonds (distance) C4'-P energy: -128.620
bonds (distance) P-C4' energy: -141.506
flat angles C4'-P-C4' energy: -158.815
flat angles P-C4'-P energy: -112.662
tors. eta vs tors. theta energy: -236.218
Dist. restrs. and SS energy: 4.920 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -2479.789074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2479.789074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2484.252572 (E_RNA)
where:
Base-Base interactions energy: -1744.192
where: short stacking energy: -729.286
Base-Backbone interact. energy: -3.557
local terms energy: -736.503017
where:
bonds (distance) C4'-P energy: -126.212
bonds (distance) P-C4' energy: -130.218
flat angles C4'-P-C4' energy: -148.331
flat angles P-C4'-P energy: -106.252
tors. eta vs tors. theta energy: -225.491
Dist. restrs. and SS energy: 4.463 (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: 10
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -2420.334493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2420.334493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2424.686012 (E_RNA)
where:
Base-Base interactions energy: -1710.338
where: short stacking energy: -714.810
Base-Backbone interact. energy: -1.379
local terms energy: -712.969428
where:
bonds (distance) C4'-P energy: -111.765
bonds (distance) P-C4' energy: -130.638
flat angles C4'-P-C4' energy: -152.369
flat angles P-C4'-P energy: -105.390
tors. eta vs tors. theta energy: -212.808
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: 6, replica: 4
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -2377.495401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2377.495401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2389.972130 (E_RNA)
where:
Base-Base interactions energy: -1675.221
where: short stacking energy: -695.545
Base-Backbone interact. energy: -2.904
local terms energy: -711.846583
where:
bonds (distance) C4'-P energy: -139.468
bonds (distance) P-C4' energy: -117.988
flat angles C4'-P-C4' energy: -154.937
flat angles P-C4'-P energy: -85.080
tors. eta vs tors. theta energy: -214.374
Dist. restrs. and SS energy: 12.477 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -2268.259996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2268.259996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2278.313684 (E_RNA)
where:
Base-Base interactions energy: -1587.827
where: short stacking energy: -663.458
Base-Backbone interact. energy: -2.842
local terms energy: -687.644872
where:
bonds (distance) C4'-P energy: -109.316
bonds (distance) P-C4' energy: -122.636
flat angles C4'-P-C4' energy: -155.592
flat angles P-C4'-P energy: -103.093
tors. eta vs tors. theta energy: -197.007
Dist. restrs. and SS energy: 10.054 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -2163.996682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2163.996682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2181.892905 (E_RNA)
where:
Base-Base interactions energy: -1529.660
where: short stacking energy: -617.938
Base-Backbone interact. energy: -3.859
local terms energy: -648.374084
where:
bonds (distance) C4'-P energy: -91.131
bonds (distance) P-C4' energy: -131.098
flat angles C4'-P-C4' energy: -147.131
flat angles P-C4'-P energy: -96.168
tors. eta vs tors. theta energy: -182.847
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: 6
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -2031.934204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2031.934204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2045.332973 (E_RNA)
where:
Base-Base interactions energy: -1421.026
where: short stacking energy: -599.829
Base-Backbone interact. energy: -1.848
local terms energy: -622.459268
where:
bonds (distance) C4'-P energy: -118.639
bonds (distance) P-C4' energy: -109.118
flat angles C4'-P-C4' energy: -140.335
flat angles P-C4'-P energy: -85.190
tors. eta vs tors. theta energy: -169.178
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: 1
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -1940.513033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1940.513033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1957.285514 (E_RNA)
where:
Base-Base interactions energy: -1366.755
where: short stacking energy: -552.300
Base-Backbone interact. energy: -0.712
local terms energy: -589.818582
where:
bonds (distance) C4'-P energy: -104.388
bonds (distance) P-C4' energy: -108.465
flat angles C4'-P-C4' energy: -151.263
flat angles P-C4'-P energy: -87.361
tors. eta vs tors. theta energy: -138.342
Dist. restrs. and SS energy: 16.772 (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: 2
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -2762.427745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2762.427745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2765.467838 (E_RNA)
where:
Base-Base interactions energy: -1941.331
where: short stacking energy: -834.584
Base-Backbone interact. energy: -3.586
local terms energy: -820.550720
where:
bonds (distance) C4'-P energy: -141.913
bonds (distance) P-C4' energy: -150.117
flat angles C4'-P-C4' energy: -179.877
flat angles P-C4'-P energy: -108.437
tors. eta vs tors. theta energy: -240.206
Dist. restrs. and SS energy: 3.040 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -2695.751844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2695.751844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2698.485969 (E_RNA)
where:
Base-Base interactions energy: -1895.606
where: short stacking energy: -807.137
Base-Backbone interact. energy: -4.029
local terms energy: -798.851584
where:
bonds (distance) C4'-P energy: -134.248
bonds (distance) P-C4' energy: -131.756
flat angles C4'-P-C4' energy: -166.836
flat angles P-C4'-P energy: -120.531
tors. eta vs tors. theta energy: -245.482
Dist. restrs. and SS energy: 2.734 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -2600.818819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2600.818819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2603.671663 (E_RNA)
where:
Base-Base interactions energy: -1821.794
where: short stacking energy: -774.818
Base-Backbone interact. energy: -2.789
local terms energy: -779.089195
where:
bonds (distance) C4'-P energy: -146.005
bonds (distance) P-C4' energy: -135.675
flat angles C4'-P-C4' energy: -157.001
flat angles P-C4'-P energy: -101.186
tors. eta vs tors. theta energy: -239.223
Dist. restrs. and SS energy: 2.853 (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: 3
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -2466.455676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2466.455676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2471.763678 (E_RNA)
where:
Base-Base interactions energy: -1721.734
where: short stacking energy: -714.319
Base-Backbone interact. energy: -3.662
local terms energy: -746.367648
where:
bonds (distance) C4'-P energy: -140.215
bonds (distance) P-C4' energy: -144.751
flat angles C4'-P-C4' energy: -149.803
flat angles P-C4'-P energy: -95.221
tors. eta vs tors. theta energy: -216.378
Dist. restrs. and SS energy: 5.308 (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: 10
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -2443.488099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2443.488099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2449.260142 (E_RNA)
where:
Base-Base interactions energy: -1733.715
where: short stacking energy: -723.686
Base-Backbone interact. energy: -1.623
local terms energy: -713.922046
where:
bonds (distance) C4'-P energy: -110.716
bonds (distance) P-C4' energy: -121.872
flat angles C4'-P-C4' energy: -161.241
flat angles P-C4'-P energy: -107.135
tors. eta vs tors. theta energy: -212.960
Dist. restrs. and SS energy: 5.772 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -2350.327043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2350.327043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2366.153893 (E_RNA)
where:
Base-Base interactions energy: -1664.364
where: short stacking energy: -677.322
Base-Backbone interact. energy: -3.565
local terms energy: -698.224744
where:
bonds (distance) C4'-P energy: -111.456
bonds (distance) P-C4' energy: -130.310
flat angles C4'-P-C4' energy: -149.045
flat angles P-C4'-P energy: -93.852
tors. eta vs tors. theta energy: -213.562
Dist. restrs. and SS energy: 15.827 (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: 7
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -2247.192900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2247.192900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2257.723150 (E_RNA)
where:
Base-Base interactions energy: -1594.788
where: short stacking energy: -684.450
Base-Backbone interact. energy: -0.647
local terms energy: -662.288466
where:
bonds (distance) C4'-P energy: -95.744
bonds (distance) P-C4' energy: -136.753
flat angles C4'-P-C4' energy: -156.280
flat angles P-C4'-P energy: -71.939
tors. eta vs tors. theta energy: -201.573
Dist. restrs. and SS energy: 10.530 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -2197.763437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2197.763437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2207.359809 (E_RNA)
where:
Base-Base interactions energy: -1513.887
where: short stacking energy: -646.735
Base-Backbone interact. energy: 2.337
local terms energy: -695.809685
where:
bonds (distance) C4'-P energy: -120.209
bonds (distance) P-C4' energy: -141.161
flat angles C4'-P-C4' energy: -146.644
flat angles P-C4'-P energy: -102.049
tors. eta vs tors. theta energy: -185.746
Dist. restrs. and SS energy: 9.596 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -2111.374460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2111.374460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2127.404376 (E_RNA)
where:
Base-Base interactions energy: -1501.462
where: short stacking energy: -622.622
Base-Backbone interact. energy: 0.661
local terms energy: -626.603561
where:
bonds (distance) C4'-P energy: -103.596
bonds (distance) P-C4' energy: -119.229
flat angles C4'-P-C4' energy: -127.225
flat angles P-C4'-P energy: -94.895
tors. eta vs tors. theta energy: -181.658
Dist. restrs. and SS energy: 16.030 (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: 1
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -1937.753803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.753803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.696846 (E_RNA)
where:
Base-Base interactions energy: -1359.729
where: short stacking energy: -549.108
Base-Backbone interact. energy: -0.858
local terms energy: -592.109139
where:
bonds (distance) C4'-P energy: -115.393
bonds (distance) P-C4' energy: -118.632
flat angles C4'-P-C4' energy: -122.517
flat angles P-C4'-P energy: -83.715
tors. eta vs tors. theta energy: -151.851
Dist. restrs. and SS energy: 14.943 (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: 2
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -2743.675655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2743.675655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2747.136038 (E_RNA)
where:
Base-Base interactions energy: -1920.777
where: short stacking energy: -821.303
Base-Backbone interact. energy: -1.161
local terms energy: -825.198997
where:
bonds (distance) C4'-P energy: -147.489
bonds (distance) P-C4' energy: -156.062
flat angles C4'-P-C4' energy: -166.104
flat angles P-C4'-P energy: -112.319
tors. eta vs tors. theta energy: -243.225
Dist. restrs. and SS energy: 3.460 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -2698.767244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2698.767244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2702.468557 (E_RNA)
where:
Base-Base interactions energy: -1910.049
where: short stacking energy: -806.746
Base-Backbone interact. energy: -3.752
local terms energy: -788.666791
where:
bonds (distance) C4'-P energy: -131.270
bonds (distance) P-C4' energy: -136.047
flat angles C4'-P-C4' energy: -167.169
flat angles P-C4'-P energy: -120.932
tors. eta vs tors. theta energy: -233.250
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: 5
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -2587.205332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2587.205332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2590.941937 (E_RNA)
where:
Base-Base interactions energy: -1817.805
where: short stacking energy: -763.025
Base-Backbone interact. energy: -1.684
local terms energy: -771.452319
where:
bonds (distance) C4'-P energy: -126.608
bonds (distance) P-C4' energy: -142.917
flat angles C4'-P-C4' energy: -159.578
flat angles P-C4'-P energy: -113.107
tors. eta vs tors. theta energy: -229.242
Dist. restrs. and SS energy: 3.737 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -2482.833818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2482.833818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2486.869775 (E_RNA)
where:
Base-Base interactions energy: -1784.116
where: short stacking energy: -755.707
Base-Backbone interact. energy: -1.683
local terms energy: -701.070074
where:
bonds (distance) C4'-P energy: -118.812
bonds (distance) P-C4' energy: -117.307
flat angles C4'-P-C4' energy: -160.052
flat angles P-C4'-P energy: -92.975
tors. eta vs tors. theta energy: -211.924
Dist. restrs. and SS energy: 4.036 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -2458.801674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2458.801674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2465.506933 (E_RNA)
where:
Base-Base interactions energy: -1718.582
where: short stacking energy: -723.591
Base-Backbone interact. energy: 0.713
local terms energy: -747.638247
where:
bonds (distance) C4'-P energy: -134.625
bonds (distance) P-C4' energy: -127.644
flat angles C4'-P-C4' energy: -163.082
flat angles P-C4'-P energy: -106.809
tors. eta vs tors. theta energy: -215.478
Dist. restrs. and SS energy: 6.705 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -2370.691818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2370.691818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2383.407793 (E_RNA)
where:
Base-Base interactions energy: -1665.377
where: short stacking energy: -718.306
Base-Backbone interact. energy: -1.225
local terms energy: -716.805760
where:
bonds (distance) C4'-P energy: -130.037
bonds (distance) P-C4' energy: -119.467
flat angles C4'-P-C4' energy: -150.374
flat angles P-C4'-P energy: -94.464
tors. eta vs tors. theta energy: -222.464
Dist. restrs. and SS energy: 12.716 (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: 7
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -2209.777410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2209.777410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2219.519693 (E_RNA)
where:
Base-Base interactions energy: -1520.718
where: short stacking energy: -631.153
Base-Backbone interact. energy: -0.608
local terms energy: -698.193646
where:
bonds (distance) C4'-P energy: -117.751
bonds (distance) P-C4' energy: -143.531
flat angles C4'-P-C4' energy: -136.430
flat angles P-C4'-P energy: -104.111
tors. eta vs tors. theta energy: -196.371
Dist. restrs. and SS energy: 9.742 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -2157.579901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2157.579901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2170.133788 (E_RNA)
where:
Base-Base interactions energy: -1537.506
where: short stacking energy: -655.322
Base-Backbone interact. energy: -2.382
local terms energy: -630.246037
where:
bonds (distance) C4'-P energy: -127.711
bonds (distance) P-C4' energy: -102.026
flat angles C4'-P-C4' energy: -145.160
flat angles P-C4'-P energy: -76.169
tors. eta vs tors. theta energy: -179.181
Dist. restrs. and SS energy: 12.554 (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: 6
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -2038.682801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2038.682801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2053.245303 (E_RNA)
where:
Base-Base interactions energy: -1466.663
where: short stacking energy: -596.050
Base-Backbone interact. energy: 0.979
local terms energy: -587.561196
where:
bonds (distance) C4'-P energy: -113.116
bonds (distance) P-C4' energy: -118.490
flat angles C4'-P-C4' energy: -125.929
flat angles P-C4'-P energy: -69.207
tors. eta vs tors. theta energy: -160.819
Dist. restrs. and SS energy: 14.563 (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: 1
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -2016.156856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2016.156856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2032.651311 (E_RNA)
where:
Base-Base interactions energy: -1426.169
where: short stacking energy: -598.816
Base-Backbone interact. energy: -0.567
local terms energy: -605.915343
where:
bonds (distance) C4'-P energy: -98.038
bonds (distance) P-C4' energy: -123.043
flat angles C4'-P-C4' energy: -131.155
flat angles P-C4'-P energy: -87.516
tors. eta vs tors. theta energy: -166.164
Dist. restrs. and SS energy: 16.494 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -2752.200476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2752.200476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2756.709586 (E_RNA)
where:
Base-Base interactions energy: -1935.995
where: short stacking energy: -806.712
Base-Backbone interact. energy: -2.012
local terms energy: -818.702378
where:
bonds (distance) C4'-P energy: -137.945
bonds (distance) P-C4' energy: -149.557
flat angles C4'-P-C4' energy: -162.384
flat angles P-C4'-P energy: -126.236
tors. eta vs tors. theta energy: -242.581
Dist. restrs. and SS energy: 4.509 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -2668.004325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2668.004325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2673.403151 (E_RNA)
where:
Base-Base interactions energy: -1884.975
where: short stacking energy: -780.336
Base-Backbone interact. energy: -3.911
local terms energy: -784.517343
where:
bonds (distance) C4'-P energy: -139.426
bonds (distance) P-C4' energy: -141.558
flat angles C4'-P-C4' energy: -163.735
flat angles P-C4'-P energy: -106.608
tors. eta vs tors. theta energy: -233.191
Dist. restrs. and SS energy: 5.399 (S_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: 256
Temperature: 1.000000
Total energy: -2563.171422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2563.171422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2566.543521 (E_RNA)
where:
Base-Base interactions energy: -1789.389
where: short stacking energy: -768.808
Base-Backbone interact. energy: -3.266
local terms energy: -773.888332
where:
bonds (distance) C4'-P energy: -124.814
bonds (distance) P-C4' energy: -143.193
flat angles C4'-P-C4' energy: -158.268
flat angles P-C4'-P energy: -120.820
tors. eta vs tors. theta energy: -226.793
Dist. restrs. and SS energy: 3.372 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -2486.152982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2486.152982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2493.194132 (E_RNA)
where:
Base-Base interactions energy: -1734.190
where: short stacking energy: -728.157
Base-Backbone interact. energy: -2.739
local terms energy: -756.265396
where:
bonds (distance) C4'-P energy: -139.357
bonds (distance) P-C4' energy: -124.279
flat angles C4'-P-C4' energy: -148.168
flat angles P-C4'-P energy: -108.819
tors. eta vs tors. theta energy: -235.643
Dist. restrs. and SS energy: 7.041 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -2507.503570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2507.503570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2515.312778 (E_RNA)
where:
Base-Base interactions energy: -1784.889
where: short stacking energy: -751.332
Base-Backbone interact. energy: -0.213
local terms energy: -730.211185
where:
bonds (distance) C4'-P energy: -111.635
bonds (distance) P-C4' energy: -141.968
flat angles C4'-P-C4' energy: -153.791
flat angles P-C4'-P energy: -106.094
tors. eta vs tors. theta energy: -216.724
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: 6, replica: 4
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -2340.672924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2340.672924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2348.252398 (E_RNA)
where:
Base-Base interactions energy: -1632.759
where: short stacking energy: -688.229
Base-Backbone interact. energy: -1.305
local terms energy: -714.187825
where:
bonds (distance) C4'-P energy: -117.947
bonds (distance) P-C4' energy: -120.826
flat angles C4'-P-C4' energy: -160.657
flat angles P-C4'-P energy: -103.674
tors. eta vs tors. theta energy: -211.084
Dist. restrs. and SS energy: 7.579 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -2249.144719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2249.144719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2257.098123 (E_RNA)
where:
Base-Base interactions energy: -1626.304
where: short stacking energy: -671.546
Base-Backbone interact. energy: -0.450
local terms energy: -630.343536
where:
bonds (distance) C4'-P energy: -118.307
bonds (distance) P-C4' energy: -100.720
flat angles C4'-P-C4' energy: -132.334
flat angles P-C4'-P energy: -99.288
tors. eta vs tors. theta energy: -179.694
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: 8, replica: 9
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -2180.706797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2180.706797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2192.452381 (E_RNA)
where:
Base-Base interactions energy: -1553.306
where: short stacking energy: -641.927
Base-Backbone interact. energy: -4.297
local terms energy: -634.848699
where:
bonds (distance) C4'-P energy: -123.290
bonds (distance) P-C4' energy: -116.500
flat angles C4'-P-C4' energy: -133.946
flat angles P-C4'-P energy: -87.281
tors. eta vs tors. theta energy: -173.832
Dist. restrs. and SS energy: 11.746 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -2070.989995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2070.989995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2082.455530 (E_RNA)
where:
Base-Base interactions energy: -1470.037
where: short stacking energy: -621.418
Base-Backbone interact. energy: 4.772
local terms energy: -617.191112
where:
bonds (distance) C4'-P energy: -101.611
bonds (distance) P-C4' energy: -119.254
flat angles C4'-P-C4' energy: -128.220
flat angles P-C4'-P energy: -84.519
tors. eta vs tors. theta energy: -183.588
Dist. restrs. and SS energy: 11.466 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -1957.907126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1957.907126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1975.887309 (E_RNA)
where:
Base-Base interactions energy: -1392.155
where: short stacking energy: -584.230
Base-Backbone interact. energy: 3.187
local terms energy: -586.919704
where:
bonds (distance) C4'-P energy: -99.216
bonds (distance) P-C4' energy: -110.647
flat angles C4'-P-C4' energy: -133.196
flat angles P-C4'-P energy: -74.544
tors. eta vs tors. theta energy: -169.317
Dist. restrs. and SS energy: 17.980 (S_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: 257
Temperature: 0.900000
Total energy: -2757.616973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2757.616973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2763.034474 (E_RNA)
where:
Base-Base interactions energy: -1913.421
where: short stacking energy: -815.748
Base-Backbone interact. energy: -3.678
local terms energy: -845.935608
where:
bonds (distance) C4'-P energy: -145.627
bonds (distance) P-C4' energy: -149.019
flat angles C4'-P-C4' energy: -174.615
flat angles P-C4'-P energy: -128.943
tors. eta vs tors. theta energy: -247.731
Dist. restrs. and SS energy: 5.418 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -2687.825523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2687.825523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2692.472463 (E_RNA)
where:
Base-Base interactions energy: -1881.892
where: short stacking energy: -780.616
Base-Backbone interact. energy: -2.595
local terms energy: -807.985468
where:
bonds (distance) C4'-P energy: -135.580
bonds (distance) P-C4' energy: -141.323
flat angles C4'-P-C4' energy: -174.537
flat angles P-C4'-P energy: -123.207
tors. eta vs tors. theta energy: -233.338
Dist. restrs. and SS energy: 4.647 (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: 5
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -2597.032276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2597.032276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2601.709805 (E_RNA)
where:
Base-Base interactions energy: -1820.717
where: short stacking energy: -749.686
Base-Backbone interact. energy: -3.308
local terms energy: -777.684413
where:
bonds (distance) C4'-P energy: -119.590
bonds (distance) P-C4' energy: -150.085
flat angles C4'-P-C4' energy: -171.841
flat angles P-C4'-P energy: -113.316
tors. eta vs tors. theta energy: -222.853
Dist. restrs. and SS energy: 4.678 (S_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: 257
Temperature: 1.050000
Total energy: -2505.307760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2505.307760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2512.382322 (E_RNA)
where:
Base-Base interactions energy: -1757.185
where: short stacking energy: -768.651
Base-Backbone interact. energy: -1.166
local terms energy: -754.031487
where:
bonds (distance) C4'-P energy: -137.848
bonds (distance) P-C4' energy: -138.139
flat angles C4'-P-C4' energy: -146.689
flat angles P-C4'-P energy: -94.859
tors. eta vs tors. theta energy: -236.496
Dist. restrs. and SS energy: 7.075 (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: 10
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -2472.375244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2472.375244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2483.580202 (E_RNA)
where:
Base-Base interactions energy: -1741.094
where: short stacking energy: -719.081
Base-Backbone interact. energy: -1.205
local terms energy: -741.280837
where:
bonds (distance) C4'-P energy: -129.048
bonds (distance) P-C4' energy: -139.910
flat angles C4'-P-C4' energy: -161.614
flat angles P-C4'-P energy: -94.046
tors. eta vs tors. theta energy: -216.663
Dist. restrs. and SS energy: 11.205 (S_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: 257
Temperature: 1.150000
Total energy: -2361.955230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2361.955230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2375.804937 (E_RNA)
where:
Base-Base interactions energy: -1658.852
where: short stacking energy: -697.723
Base-Backbone interact. energy: -2.949
local terms energy: -714.004515
where:
bonds (distance) C4'-P energy: -142.146
bonds (distance) P-C4' energy: -113.014
flat angles C4'-P-C4' energy: -163.410
flat angles P-C4'-P energy: -80.039
tors. eta vs tors. theta energy: -215.396
Dist. restrs. and SS energy: 13.850 (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: 7
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -2268.643635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2268.643635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2282.680557 (E_RNA)
where:
Base-Base interactions energy: -1613.799
where: short stacking energy: -692.236
Base-Backbone interact. energy: -0.948
local terms energy: -667.933643
where:
bonds (distance) C4'-P energy: -117.329
bonds (distance) P-C4' energy: -131.819
flat angles C4'-P-C4' energy: -130.188
flat angles P-C4'-P energy: -90.486
tors. eta vs tors. theta energy: -198.112
Dist. restrs. and SS energy: 14.037 (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: 9
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -2161.805498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2161.805498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2176.222774 (E_RNA)
where:
Base-Base interactions energy: -1573.432
where: short stacking energy: -653.524
Base-Backbone interact. energy: 1.797
local terms energy: -604.587261
where:
bonds (distance) C4'-P energy: -101.721
bonds (distance) P-C4' energy: -114.889
flat angles C4'-P-C4' energy: -128.850
flat angles P-C4'-P energy: -89.569
tors. eta vs tors. theta energy: -169.558
Dist. restrs. and SS energy: 14.417 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -2074.881334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2074.881334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2084.601611 (E_RNA)
where:
Base-Base interactions energy: -1485.112
where: short stacking energy: -592.925
Base-Backbone interact. energy: -4.138
local terms energy: -595.351594
where:
bonds (distance) C4'-P energy: -95.539
bonds (distance) P-C4' energy: -129.658
flat angles C4'-P-C4' energy: -135.041
flat angles P-C4'-P energy: -66.916
tors. eta vs tors. theta energy: -168.198
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: 6
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -1974.367048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.367048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1992.180050 (E_RNA)
where:
Base-Base interactions energy: -1434.472
where: short stacking energy: -587.669
Base-Backbone interact. energy: -2.577
local terms energy: -555.131076
where:
bonds (distance) C4'-P energy: -88.120
bonds (distance) P-C4' energy: -89.926
flat angles C4'-P-C4' energy: -125.444
flat angles P-C4'-P energy: -87.236
tors. eta vs tors. theta energy: -164.406
Dist. restrs. and SS energy: 17.813 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -2762.749869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2762.749869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2766.882027 (E_RNA)
where:
Base-Base interactions energy: -1935.429
where: short stacking energy: -816.597
Base-Backbone interact. energy: -3.546
local terms energy: -827.906635
where:
bonds (distance) C4'-P energy: -162.871
bonds (distance) P-C4' energy: -142.225
flat angles C4'-P-C4' energy: -168.811
flat angles P-C4'-P energy: -112.795
tors. eta vs tors. theta energy: -241.204
Dist. restrs. and SS energy: 4.132 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -2680.989162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2680.989162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2683.868859 (E_RNA)
where:
Base-Base interactions energy: -1875.544
where: short stacking energy: -778.664
Base-Backbone interact. energy: -3.229
local terms energy: -805.096079
where:
bonds (distance) C4'-P energy: -139.275
bonds (distance) P-C4' energy: -134.409
flat angles C4'-P-C4' energy: -177.575
flat angles P-C4'-P energy: -120.490
tors. eta vs tors. theta energy: -233.347
Dist. restrs. and SS energy: 2.880 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -2595.529140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2595.529140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2599.382729 (E_RNA)
where:
Base-Base interactions energy: -1815.542
where: short stacking energy: -760.272
Base-Backbone interact. energy: 0.520
local terms energy: -784.360059
where:
bonds (distance) C4'-P energy: -138.784
bonds (distance) P-C4' energy: -152.317
flat angles C4'-P-C4' energy: -159.448
flat angles P-C4'-P energy: -114.598
tors. eta vs tors. theta energy: -219.213
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: 3
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -2499.985950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2499.985950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2506.504183 (E_RNA)
where:
Base-Base interactions energy: -1753.146
where: short stacking energy: -747.170
Base-Backbone interact. energy: -5.304
local terms energy: -748.054341
where:
bonds (distance) C4'-P energy: -117.693
bonds (distance) P-C4' energy: -144.590
flat angles C4'-P-C4' energy: -160.522
flat angles P-C4'-P energy: -102.337
tors. eta vs tors. theta energy: -222.913
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: 10
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -2443.832320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2443.832320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2450.984570 (E_RNA)
where:
Base-Base interactions energy: -1750.678
where: short stacking energy: -725.827
Base-Backbone interact. energy: -0.335
local terms energy: -699.971652
where:
bonds (distance) C4'-P energy: -111.629
bonds (distance) P-C4' energy: -120.689
flat angles C4'-P-C4' energy: -147.524
flat angles P-C4'-P energy: -110.054
tors. eta vs tors. theta energy: -210.075
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: 4
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -2358.709927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2358.709927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2371.674316 (E_RNA)
where:
Base-Base interactions energy: -1642.452
where: short stacking energy: -704.609
Base-Backbone interact. energy: -2.021
local terms energy: -727.201660
where:
bonds (distance) C4'-P energy: -132.615
bonds (distance) P-C4' energy: -138.387
flat angles C4'-P-C4' energy: -146.138
flat angles P-C4'-P energy: -105.395
tors. eta vs tors. theta energy: -204.667
Dist. restrs. and SS energy: 12.964 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -2243.308714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2243.308714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2256.148578 (E_RNA)
where:
Base-Base interactions energy: -1598.195
where: short stacking energy: -655.400
Base-Backbone interact. energy: -0.501
local terms energy: -657.452573
where:
bonds (distance) C4'-P energy: -115.713
bonds (distance) P-C4' energy: -115.976
flat angles C4'-P-C4' energy: -147.725
flat angles P-C4'-P energy: -91.347
tors. eta vs tors. theta energy: -186.691
Dist. restrs. and SS energy: 12.840 (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: 9
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -2121.129100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2121.129100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2134.356031 (E_RNA)
where:
Base-Base interactions energy: -1509.461
where: short stacking energy: -609.644
Base-Backbone interact. energy: 1.476
local terms energy: -626.371099
where:
bonds (distance) C4'-P energy: -128.118
bonds (distance) P-C4' energy: -113.725
flat angles C4'-P-C4' energy: -126.477
flat angles P-C4'-P energy: -94.294
tors. eta vs tors. theta energy: -163.757
Dist. restrs. and SS energy: 13.227 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -2093.999214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2093.999214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2109.542749 (E_RNA)
where:
Base-Base interactions energy: -1459.051
where: short stacking energy: -594.684
Base-Backbone interact. energy: -0.846
local terms energy: -649.646053
where:
bonds (distance) C4'-P energy: -111.063
bonds (distance) P-C4' energy: -126.200
flat angles C4'-P-C4' energy: -142.611
flat angles P-C4'-P energy: -88.075
tors. eta vs tors. theta energy: -181.697
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: 10, replica: 6
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -1993.686617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1993.686617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2013.110001 (E_RNA)
where:
Base-Base interactions energy: -1440.897
where: short stacking energy: -563.117
Base-Backbone interact. energy: -0.804
local terms energy: -571.409035
where:
bonds (distance) C4'-P energy: -99.942
bonds (distance) P-C4' energy: -102.450
flat angles C4'-P-C4' energy: -131.281
flat angles P-C4'-P energy: -72.628
tors. eta vs tors. theta energy: -165.109
Dist. restrs. and SS energy: 19.423 (S_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: 259
Temperature: 0.900000
Total energy: -2764.012373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2764.012373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2767.547033 (E_RNA)
where:
Base-Base interactions energy: -1933.443
where: short stacking energy: -813.050
Base-Backbone interact. energy: -3.075
local terms energy: -831.028851
where:
bonds (distance) C4'-P energy: -158.252
bonds (distance) P-C4' energy: -146.509
flat angles C4'-P-C4' energy: -161.621
flat angles P-C4'-P energy: -125.031
tors. eta vs tors. theta energy: -239.615
Dist. restrs. and SS energy: 3.535 (S_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: 259
Temperature: 0.950000
Total energy: -2693.181961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2693.181961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2695.318140 (E_RNA)
where:
Base-Base interactions energy: -1896.613
where: short stacking energy: -780.838
Base-Backbone interact. energy: -2.393
local terms energy: -796.312882
where:
bonds (distance) C4'-P energy: -152.623
bonds (distance) P-C4' energy: -144.689
flat angles C4'-P-C4' energy: -155.522
flat angles P-C4'-P energy: -114.949
tors. eta vs tors. theta energy: -228.530
Dist. restrs. and SS energy: 2.136 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -2622.324395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2622.324395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2626.738826 (E_RNA)
where:
Base-Base interactions energy: -1848.084
where: short stacking energy: -788.208
Base-Backbone interact. energy: -0.826
local terms energy: -777.828050
where:
bonds (distance) C4'-P energy: -133.917
bonds (distance) P-C4' energy: -134.553
flat angles C4'-P-C4' energy: -157.151
flat angles P-C4'-P energy: -106.516
tors. eta vs tors. theta energy: -245.692
Dist. restrs. and SS energy: 4.414 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -2468.304397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2468.304397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2473.459677 (E_RNA)
where:
Base-Base interactions energy: -1742.628
where: short stacking energy: -727.707
Base-Backbone interact. energy: 1.707
local terms energy: -732.538540
where:
bonds (distance) C4'-P energy: -122.605
bonds (distance) P-C4' energy: -126.632
flat angles C4'-P-C4' energy: -158.895
flat angles P-C4'-P energy: -113.485
tors. eta vs tors. theta energy: -210.921
Dist. restrs. and SS energy: 5.155 (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: 10
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -2431.715867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2431.715867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2438.195899 (E_RNA)
where:
Base-Base interactions energy: -1739.510
where: short stacking energy: -725.485
Base-Backbone interact. energy: -3.101
local terms energy: -695.584740
where:
bonds (distance) C4'-P energy: -115.042
bonds (distance) P-C4' energy: -126.861
flat angles C4'-P-C4' energy: -151.096
flat angles P-C4'-P energy: -98.661
tors. eta vs tors. theta energy: -203.925
Dist. restrs. and SS energy: 6.480 (S_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: -2323.122198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2323.122198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2334.417450 (E_RNA)
where:
Base-Base interactions energy: -1637.063
where: short stacking energy: -683.519
Base-Backbone interact. energy: -0.205
local terms energy: -697.148820
where:
bonds (distance) C4'-P energy: -105.102
bonds (distance) P-C4' energy: -148.434
flat angles C4'-P-C4' energy: -151.763
flat angles P-C4'-P energy: -94.515
tors. eta vs tors. theta energy: -197.334
Dist. restrs. and SS energy: 11.295 (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: 7
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -2245.950208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2245.950208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2257.203200 (E_RNA)
where:
Base-Base interactions energy: -1600.703
where: short stacking energy: -651.776
Base-Backbone interact. energy: 4.707
local terms energy: -661.206637
where:
bonds (distance) C4'-P energy: -123.606
bonds (distance) P-C4' energy: -107.950
flat angles C4'-P-C4' energy: -153.345
flat angles P-C4'-P energy: -84.213
tors. eta vs tors. theta energy: -192.092
Dist. restrs. and SS energy: 11.253 (S_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: 259
Temperature: 1.250000
Total energy: -2130.340691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2130.340691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2141.644111 (E_RNA)
where:
Base-Base interactions energy: -1515.425
where: short stacking energy: -649.455
Base-Backbone interact. energy: 0.649
local terms energy: -626.868691
where:
bonds (distance) C4'-P energy: -103.001
bonds (distance) P-C4' energy: -112.245
flat angles C4'-P-C4' energy: -139.489
flat angles P-C4'-P energy: -81.910
tors. eta vs tors. theta energy: -190.224
Dist. restrs. and SS energy: 11.303 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -2062.631398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2062.631398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2074.577636 (E_RNA)
where:
Base-Base interactions energy: -1449.502
where: short stacking energy: -596.942
Base-Backbone interact. energy: 0.007
local terms energy: -625.082614
where:
bonds (distance) C4'-P energy: -131.987
bonds (distance) P-C4' energy: -112.245
flat angles C4'-P-C4' energy: -133.016
flat angles P-C4'-P energy: -62.799
tors. eta vs tors. theta energy: -185.035
Dist. restrs. and SS energy: 11.946 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -1933.963418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.963418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1950.547070 (E_RNA)
where:
Base-Base interactions energy: -1379.227
where: short stacking energy: -563.085
Base-Backbone interact. energy: -2.294
local terms energy: -569.026556
where:
bonds (distance) C4'-P energy: -109.148
bonds (distance) P-C4' energy: -114.082
flat angles C4'-P-C4' energy: -113.536
flat angles P-C4'-P energy: -76.150
tors. eta vs tors. theta energy: -156.111
Dist. restrs. and SS energy: 16.584 (S_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: 260
Temperature: 0.900000
Total energy: -2790.508354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2790.508354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2794.979015 (E_RNA)
where:
Base-Base interactions energy: -1950.632
where: short stacking energy: -835.565
Base-Backbone interact. energy: -1.887
local terms energy: -842.459493
where:
bonds (distance) C4'-P energy: -147.607
bonds (distance) P-C4' energy: -150.501
flat angles C4'-P-C4' energy: -174.387
flat angles P-C4'-P energy: -125.208
tors. eta vs tors. theta energy: -244.757
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: 2, replica: 8
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -2690.677163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2690.677163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2693.400944 (E_RNA)
where:
Base-Base interactions energy: -1890.393
where: short stacking energy: -796.689
Base-Backbone interact. energy: -4.617
local terms energy: -798.390904
where:
bonds (distance) C4'-P energy: -129.101
bonds (distance) P-C4' energy: -134.929
flat angles C4'-P-C4' energy: -169.865
flat angles P-C4'-P energy: -129.128
tors. eta vs tors. theta energy: -235.368
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: 5
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -2634.068689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2634.068689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2637.753477 (E_RNA)
where:
Base-Base interactions energy: -1863.851
where: short stacking energy: -778.967
Base-Backbone interact. energy: -1.505
local terms energy: -772.397120
where:
bonds (distance) C4'-P energy: -141.072
bonds (distance) P-C4' energy: -131.218
flat angles C4'-P-C4' energy: -154.372
flat angles P-C4'-P energy: -113.230
tors. eta vs tors. theta energy: -232.505
Dist. restrs. and SS energy: 3.685 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -2467.882199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2467.882199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2475.134518 (E_RNA)
where:
Base-Base interactions energy: -1716.687
where: short stacking energy: -741.386
Base-Backbone interact. energy: -4.397
local terms energy: -754.050731
where:
bonds (distance) C4'-P energy: -124.349
bonds (distance) P-C4' energy: -128.975
flat angles C4'-P-C4' energy: -171.424
flat angles P-C4'-P energy: -98.451
tors. eta vs tors. theta energy: -230.853
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: 5, replica: 10
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -2469.792999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2469.792999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2480.503757 (E_RNA)
where:
Base-Base interactions energy: -1712.542
where: short stacking energy: -730.782
Base-Backbone interact. energy: -1.108
local terms energy: -766.854049
where:
bonds (distance) C4'-P energy: -133.602
bonds (distance) P-C4' energy: -131.218
flat angles C4'-P-C4' energy: -171.229
flat angles P-C4'-P energy: -111.569
tors. eta vs tors. theta energy: -219.237
Dist. restrs. and SS energy: 10.711 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -2303.260132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2303.260132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2313.277354 (E_RNA)
where:
Base-Base interactions energy: -1624.064
where: short stacking energy: -660.757
Base-Backbone interact. energy: -2.944
local terms energy: -686.269381
where:
bonds (distance) C4'-P energy: -139.159
bonds (distance) P-C4' energy: -106.600
flat angles C4'-P-C4' energy: -136.957
flat angles P-C4'-P energy: -112.401
tors. eta vs tors. theta energy: -191.152
Dist. restrs. and SS energy: 10.017 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -2234.733555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2234.733555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2245.233318 (E_RNA)
where:
Base-Base interactions energy: -1585.531
where: short stacking energy: -651.985
Base-Backbone interact. energy: -3.378
local terms energy: -656.324232
where:
bonds (distance) C4'-P energy: -111.744
bonds (distance) P-C4' energy: -126.297
flat angles C4'-P-C4' energy: -139.675
flat angles P-C4'-P energy: -97.672
tors. eta vs tors. theta energy: -180.937
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: 8, replica: 9
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -2132.312534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2132.312534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2155.965334 (E_RNA)
where:
Base-Base interactions energy: -1534.080
where: short stacking energy: -635.403
Base-Backbone interact. energy: 2.296
local terms energy: -624.180653
where:
bonds (distance) C4'-P energy: -99.296
bonds (distance) P-C4' energy: -107.557
flat angles C4'-P-C4' energy: -140.170
flat angles P-C4'-P energy: -86.110
tors. eta vs tors. theta energy: -191.047
Dist. restrs. and SS energy: 23.653 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -2077.294156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2077.294156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.958268 (E_RNA)
where:
Base-Base interactions energy: -1455.267
where: short stacking energy: -601.036
Base-Backbone interact. energy: -0.980
local terms energy: -632.711172
where:
bonds (distance) C4'-P energy: -122.024
bonds (distance) P-C4' energy: -126.573
flat angles C4'-P-C4' energy: -139.180
flat angles P-C4'-P energy: -80.215
tors. eta vs tors. theta energy: -164.720
Dist. restrs. and SS energy: 11.664 (S_DIST_RNA)
chem. 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: -1975.876453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1975.876453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1988.169102 (E_RNA)
where:
Base-Base interactions energy: -1392.097
where: short stacking energy: -585.718
Base-Backbone interact. energy: -1.611
local terms energy: -594.461686
where:
bonds (distance) C4'-P energy: -119.833
bonds (distance) P-C4' energy: -114.901
flat angles C4'-P-C4' energy: -134.026
flat angles P-C4'-P energy: -60.351
tors. eta vs tors. theta energy: -165.352
Dist. restrs. and SS energy: 12.293 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -2776.165228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2776.165228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2778.677219 (E_RNA)
where:
Base-Base interactions energy: -1933.998
where: short stacking energy: -814.407
Base-Backbone interact. energy: -3.930
local terms energy: -840.749332
where:
bonds (distance) C4'-P energy: -163.036
bonds (distance) P-C4' energy: -136.325
flat angles C4'-P-C4' energy: -170.460
flat angles P-C4'-P energy: -127.613
tors. eta vs tors. theta energy: -243.315
Dist. restrs. and SS energy: 2.512 (S_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: 261
Temperature: 0.950000
Total energy: -2690.274415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2690.274415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2695.304195 (E_RNA)
where:
Base-Base interactions energy: -1894.870
where: short stacking energy: -776.159
Base-Backbone interact. energy: -2.580
local terms energy: -797.853809
where:
bonds (distance) C4'-P energy: -152.725
bonds (distance) P-C4' energy: -143.318
flat angles C4'-P-C4' energy: -160.243
flat angles P-C4'-P energy: -109.421
tors. eta vs tors. theta energy: -232.148
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: 3, replica: 5
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -2594.620676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2594.620676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2601.125039 (E_RNA)
where:
Base-Base interactions energy: -1835.184
where: short stacking energy: -757.149
Base-Backbone interact. energy: -3.034
local terms energy: -762.907417
where:
bonds (distance) C4'-P energy: -136.128
bonds (distance) P-C4' energy: -127.583
flat angles C4'-P-C4' energy: -168.199
flat angles P-C4'-P energy: -107.396
tors. eta vs tors. theta energy: -223.602
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: 3
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -2480.575169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2480.575169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2489.577768 (E_RNA)
where:
Base-Base interactions energy: -1716.154
where: short stacking energy: -752.038
Base-Backbone interact. energy: -2.951
local terms energy: -770.472682
where:
bonds (distance) C4'-P energy: -129.404
bonds (distance) P-C4' energy: -137.236
flat angles C4'-P-C4' energy: -160.757
flat angles P-C4'-P energy: -112.513
tors. eta vs tors. theta energy: -230.563
Dist. restrs. and SS energy: 9.003 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -2424.456189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2424.456189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2432.549954 (E_RNA)
where:
Base-Base interactions energy: -1719.253
where: short stacking energy: -732.698
Base-Backbone interact. energy: -2.023
local terms energy: -711.274366
where:
bonds (distance) C4'-P energy: -114.009
bonds (distance) P-C4' energy: -123.009
flat angles C4'-P-C4' energy: -158.479
flat angles P-C4'-P energy: -100.397
tors. eta vs tors. theta energy: -215.381
Dist. restrs. and SS energy: 8.094 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -2313.534468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2313.534468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2325.106574 (E_RNA)
where:
Base-Base interactions energy: -1621.521
where: short stacking energy: -677.076
Base-Backbone interact. energy: -1.972
local terms energy: -701.613290
where:
bonds (distance) C4'-P energy: -117.356
bonds (distance) P-C4' energy: -144.117
flat angles C4'-P-C4' energy: -137.147
flat angles P-C4'-P energy: -95.593
tors. eta vs tors. theta energy: -207.400
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: 7, replica: 7
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -2225.179438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2225.179438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2233.696915 (E_RNA)
where:
Base-Base interactions energy: -1579.914
where: short stacking energy: -667.571
Base-Backbone interact. energy: -0.590
local terms energy: -653.192524
where:
bonds (distance) C4'-P energy: -112.894
bonds (distance) P-C4' energy: -124.387
flat angles C4'-P-C4' energy: -145.725
flat angles P-C4'-P energy: -80.021
tors. eta vs tors. theta energy: -190.166
Dist. restrs. and SS energy: 8.517 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -2161.782892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2161.782892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2176.772425 (E_RNA)
where:
Base-Base interactions energy: -1511.412
where: short stacking energy: -625.903
Base-Backbone interact. energy: -3.193
local terms energy: -662.167486
where:
bonds (distance) C4'-P energy: -102.158
bonds (distance) P-C4' energy: -134.790
flat angles C4'-P-C4' energy: -151.923
flat angles P-C4'-P energy: -90.252
tors. eta vs tors. theta energy: -183.044
Dist. restrs. and SS energy: 14.990 (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: 9
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -2029.711841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2029.711841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2046.591645 (E_RNA)
where:
Base-Base interactions energy: -1468.861
where: short stacking energy: -594.263
Base-Backbone interact. energy: 0.689
local terms energy: -578.419800
where:
bonds (distance) C4'-P energy: -112.409
bonds (distance) P-C4' energy: -99.694
flat angles C4'-P-C4' energy: -120.064
flat angles P-C4'-P energy: -78.827
tors. eta vs tors. theta energy: -167.425
Dist. restrs. and SS energy: 16.880 (S_DIST_RNA)
chem. 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: -1977.021078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1977.021078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1993.596099 (E_RNA)
where:
Base-Base interactions energy: -1417.690
where: short stacking energy: -575.033
Base-Backbone interact. energy: -4.037
local terms energy: -571.869188
where:
bonds (distance) C4'-P energy: -89.551
bonds (distance) P-C4' energy: -106.453
flat angles C4'-P-C4' energy: -129.687
flat angles P-C4'-P energy: -83.423
tors. eta vs tors. theta energy: -162.754
Dist. restrs. and SS energy: 16.575 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -2772.975961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2772.975961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2776.689566 (E_RNA)
where:
Base-Base interactions energy: -1926.628
where: short stacking energy: -811.059
Base-Backbone interact. energy: -2.616
local terms energy: -847.445469
where:
bonds (distance) C4'-P energy: -146.018
bonds (distance) P-C4' energy: -148.504
flat angles C4'-P-C4' energy: -179.191
flat angles P-C4'-P energy: -126.387
tors. eta vs tors. theta energy: -247.347
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: 8
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -2695.592795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2695.592795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2699.116093 (E_RNA)
where:
Base-Base interactions energy: -1898.838
where: short stacking energy: -793.203
Base-Backbone interact. energy: -2.217
local terms energy: -798.061069
where:
bonds (distance) C4'-P energy: -144.677
bonds (distance) P-C4' energy: -136.600
flat angles C4'-P-C4' energy: -171.260
flat angles P-C4'-P energy: -116.233
tors. eta vs tors. theta energy: -229.290
Dist. restrs. and SS energy: 3.523 (S_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: 262
Temperature: 1.000000
Total energy: -2599.205291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2599.205291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2607.707246 (E_RNA)
where:
Base-Base interactions energy: -1833.063
where: short stacking energy: -750.123
Base-Backbone interact. energy: -2.722
local terms energy: -771.922713
where:
bonds (distance) C4'-P energy: -132.546
bonds (distance) P-C4' energy: -141.923
flat angles C4'-P-C4' energy: -152.575
flat angles P-C4'-P energy: -110.443
tors. eta vs tors. theta energy: -234.436
Dist. restrs. and SS energy: 8.502 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -2490.143123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2490.143123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2499.357592 (E_RNA)
where:
Base-Base interactions energy: -1734.820
where: short stacking energy: -737.557
Base-Backbone interact. energy: -0.482
local terms energy: -764.056437
where:
bonds (distance) C4'-P energy: -140.561
bonds (distance) P-C4' energy: -127.084
flat angles C4'-P-C4' energy: -164.111
flat angles P-C4'-P energy: -115.956
tors. eta vs tors. theta energy: -216.345
Dist. restrs. and SS energy: 9.214 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -2419.598798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2419.598798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2425.827457 (E_RNA)
where:
Base-Base interactions energy: -1712.877
where: short stacking energy: -712.193
Base-Backbone interact. energy: -0.290
local terms energy: -712.660513
where:
bonds (distance) C4'-P energy: -120.604
bonds (distance) P-C4' energy: -131.686
flat angles C4'-P-C4' energy: -163.494
flat angles P-C4'-P energy: -97.574
tors. eta vs tors. theta energy: -199.303
Dist. restrs. and SS energy: 6.229 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -2354.124650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2354.124650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2364.221930 (E_RNA)
where:
Base-Base interactions energy: -1645.971
where: short stacking energy: -703.827
Base-Backbone interact. energy: -2.501
local terms energy: -715.749460
where:
bonds (distance) C4'-P energy: -121.896
bonds (distance) P-C4' energy: -134.190
flat angles C4'-P-C4' energy: -161.055
flat angles P-C4'-P energy: -96.153
tors. eta vs tors. theta energy: -202.455
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: 7, replica: 7
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -2229.475944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2229.475944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2237.676552 (E_RNA)
where:
Base-Base interactions energy: -1573.633
where: short stacking energy: -676.489
Base-Backbone interact. energy: 4.176
local terms energy: -668.219780
where:
bonds (distance) C4'-P energy: -107.892
bonds (distance) P-C4' energy: -111.358
flat angles C4'-P-C4' energy: -154.515
flat angles P-C4'-P energy: -101.270
tors. eta vs tors. theta energy: -193.185
Dist. restrs. and SS energy: 8.201 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -2129.968946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2129.968946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2142.818950 (E_RNA)
where:
Base-Base interactions energy: -1495.363
where: short stacking energy: -616.089
Base-Backbone interact. energy: 4.259
local terms energy: -651.715281
where:
bonds (distance) C4'-P energy: -123.895
bonds (distance) P-C4' energy: -122.117
flat angles C4'-P-C4' energy: -123.400
flat angles P-C4'-P energy: -108.081
tors. eta vs tors. theta energy: -174.222
Dist. restrs. and SS energy: 12.850 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -2088.348614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.348614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2100.192796 (E_RNA)
where:
Base-Base interactions energy: -1486.436
where: short stacking energy: -589.583
Base-Backbone interact. energy: -1.937
local terms energy: -611.819944
where:
bonds (distance) C4'-P energy: -104.746
bonds (distance) P-C4' energy: -129.655
flat angles C4'-P-C4' energy: -131.877
flat angles P-C4'-P energy: -84.486
tors. eta vs tors. theta energy: -161.056
Dist. restrs. and SS energy: 11.844 (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: 262
Temperature: 1.350000
Total energy: -1977.299820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1977.299820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1995.651900 (E_RNA)
where:
Base-Base interactions energy: -1405.562
where: short stacking energy: -602.758
Base-Backbone interact. energy: -0.587
local terms energy: -589.502347
where:
bonds (distance) C4'-P energy: -109.123
bonds (distance) P-C4' energy: -94.376
flat angles C4'-P-C4' energy: -131.183
flat angles P-C4'-P energy: -83.930
tors. eta vs tors. theta energy: -170.890
Dist. restrs. and SS energy: 18.352 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -2777.271202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2777.271202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2781.340512 (E_RNA)
where:
Base-Base interactions energy: -1932.178
where: short stacking energy: -810.276
Base-Backbone interact. energy: -2.984
local terms energy: -846.177798
where:
bonds (distance) C4'-P energy: -152.792
bonds (distance) P-C4' energy: -154.767
flat angles C4'-P-C4' energy: -170.806
flat angles P-C4'-P energy: -119.840
tors. eta vs tors. theta energy: -247.972
Dist. restrs. and SS energy: 4.069 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -2695.345284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2695.345284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2699.116574 (E_RNA)
where:
Base-Base interactions energy: -1896.574
where: short stacking energy: -826.502
Base-Backbone interact. energy: -1.266
local terms energy: -801.276448
where:
bonds (distance) C4'-P energy: -144.380
bonds (distance) P-C4' energy: -148.615
flat angles C4'-P-C4' energy: -171.242
flat angles P-C4'-P energy: -101.816
tors. eta vs tors. theta energy: -235.224
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: 3, replica: 5
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -2581.614113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2581.614113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2584.252236 (E_RNA)
where:
Base-Base interactions energy: -1791.846
where: short stacking energy: -753.491
Base-Backbone interact. energy: -1.627
local terms energy: -790.778855
where:
bonds (distance) C4'-P energy: -127.473
bonds (distance) P-C4' energy: -150.152
flat angles C4'-P-C4' energy: -171.514
flat angles P-C4'-P energy: -109.213
tors. eta vs tors. theta energy: -232.426
Dist. restrs. and SS energy: 2.638 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -2495.268942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2495.268942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2499.693947 (E_RNA)
where:
Base-Base interactions energy: -1750.385
where: short stacking energy: -739.549
Base-Backbone interact. energy: -4.039
local terms energy: -745.269885
where:
bonds (distance) C4'-P energy: -111.408
bonds (distance) P-C4' energy: -156.644
flat angles C4'-P-C4' energy: -164.355
flat angles P-C4'-P energy: -96.689
tors. eta vs tors. theta energy: -216.174
Dist. restrs. and SS energy: 4.425 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -2409.112612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2409.112612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2415.684639 (E_RNA)
where:
Base-Base interactions energy: -1705.958
where: short stacking energy: -714.080
Base-Backbone interact. energy: -2.413
local terms energy: -707.314011
where:
bonds (distance) C4'-P energy: -135.286
bonds (distance) P-C4' energy: -107.608
flat angles C4'-P-C4' energy: -146.717
flat angles P-C4'-P energy: -113.497
tors. eta vs tors. theta energy: -204.205
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: 6, replica: 4
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -2317.773315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2317.773315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2325.725877 (E_RNA)
where:
Base-Base interactions energy: -1640.650
where: short stacking energy: -692.591
Base-Backbone interact. energy: 1.605
local terms energy: -686.680056
where:
bonds (distance) C4'-P energy: -137.514
bonds (distance) P-C4' energy: -114.823
flat angles C4'-P-C4' energy: -143.759
flat angles P-C4'-P energy: -86.641
tors. eta vs tors. theta energy: -203.943
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: 7, replica: 7
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -2246.619446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2246.619446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2257.129815 (E_RNA)
where:
Base-Base interactions energy: -1569.509
where: short stacking energy: -673.125
Base-Backbone interact. energy: -3.155
local terms energy: -684.466072
where:
bonds (distance) C4'-P energy: -125.905
bonds (distance) P-C4' energy: -126.480
flat angles C4'-P-C4' energy: -144.126
flat angles P-C4'-P energy: -93.061
tors. eta vs tors. theta energy: -194.894
Dist. restrs. and SS energy: 10.510 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -2114.072800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2114.072800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2127.911587 (E_RNA)
where:
Base-Base interactions energy: -1489.211
where: short stacking energy: -636.041
Base-Backbone interact. energy: -3.704
local terms energy: -634.996839
where:
bonds (distance) C4'-P energy: -100.570
bonds (distance) P-C4' energy: -124.727
flat angles C4'-P-C4' energy: -116.393
flat angles P-C4'-P energy: -100.837
tors. eta vs tors. theta energy: -192.470
Dist. restrs. and SS energy: 13.839 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -2058.165745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2058.165745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2081.156313 (E_RNA)
where:
Base-Base interactions energy: -1466.911
where: short stacking energy: -598.723
Base-Backbone interact. energy: -2.809
local terms energy: -611.435739
where:
bonds (distance) C4'-P energy: -98.766
bonds (distance) P-C4' energy: -113.911
flat angles C4'-P-C4' energy: -134.751
flat angles P-C4'-P energy: -88.395
tors. eta vs tors. theta energy: -175.613
Dist. restrs. and SS energy: 22.991 (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: 6
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -1934.917297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1934.917297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.502088 (E_RNA)
where:
Base-Base interactions energy: -1372.647
where: short stacking energy: -563.500
Base-Backbone interact. energy: 1.730
local terms energy: -581.584429
where:
bonds (distance) C4'-P energy: -110.258
bonds (distance) P-C4' energy: -120.431
flat angles C4'-P-C4' energy: -115.570
flat angles P-C4'-P energy: -72.307
tors. eta vs tors. theta energy: -163.019
Dist. restrs. and SS energy: 17.585 (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: 2
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -2790.272258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2790.272258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2793.301231 (E_RNA)
where:
Base-Base interactions energy: -1967.155
where: short stacking energy: -835.259
Base-Backbone interact. energy: -2.838
local terms energy: -823.307401
where:
bonds (distance) C4'-P energy: -155.666
bonds (distance) P-C4' energy: -134.134
flat angles C4'-P-C4' energy: -169.738
flat angles P-C4'-P energy: -113.171
tors. eta vs tors. theta energy: -250.598
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: 2, replica: 8
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -2684.197104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2684.197104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2688.432093 (E_RNA)
where:
Base-Base interactions energy: -1901.390
where: short stacking energy: -815.128
Base-Backbone interact. energy: -0.229
local terms energy: -786.813410
where:
bonds (distance) C4'-P energy: -154.509
bonds (distance) P-C4' energy: -128.381
flat angles C4'-P-C4' energy: -157.932
flat angles P-C4'-P energy: -104.070
tors. eta vs tors. theta energy: -241.920
Dist. restrs. and SS energy: 4.235 (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: 5
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -2593.198733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2593.198733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2599.182038 (E_RNA)
where:
Base-Base interactions energy: -1810.548
where: short stacking energy: -757.062
Base-Backbone interact. energy: -1.952
local terms energy: -786.682375
where:
bonds (distance) C4'-P energy: -160.671
bonds (distance) P-C4' energy: -129.014
flat angles C4'-P-C4' energy: -170.799
flat angles P-C4'-P energy: -99.097
tors. eta vs tors. theta energy: -227.101
Dist. restrs. and SS energy: 5.983 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -2511.846014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2511.846014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2516.814294 (E_RNA)
where:
Base-Base interactions energy: -1744.122
where: short stacking energy: -747.258
Base-Backbone interact. energy: -3.086
local terms energy: -769.605815
where:
bonds (distance) C4'-P energy: -133.729
bonds (distance) P-C4' energy: -149.482
flat angles C4'-P-C4' energy: -157.514
flat angles P-C4'-P energy: -103.592
tors. eta vs tors. theta energy: -225.289
Dist. restrs. and SS energy: 4.968 (S_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: 264
Temperature: 1.100000
Total energy: -2407.502703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2407.502703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2418.714966 (E_RNA)
where:
Base-Base interactions energy: -1684.500
where: short stacking energy: -699.901
Base-Backbone interact. energy: -3.707
local terms energy: -730.507843
where:
bonds (distance) C4'-P energy: -119.448
bonds (distance) P-C4' energy: -131.320
flat angles C4'-P-C4' energy: -153.309
flat angles P-C4'-P energy: -109.487
tors. eta vs tors. theta energy: -216.944
Dist. restrs. and SS energy: 11.212 (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: 4
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -2359.884869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2359.884869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2372.037754 (E_RNA)
where:
Base-Base interactions energy: -1676.416
where: short stacking energy: -721.249
Base-Backbone interact. energy: -2.103
local terms energy: -693.518391
where:
bonds (distance) C4'-P energy: -127.195
bonds (distance) P-C4' energy: -116.746
flat angles C4'-P-C4' energy: -154.311
flat angles P-C4'-P energy: -99.060
tors. eta vs tors. theta energy: -196.207
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: 7, replica: 7
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -2210.387182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2210.387182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2221.083018 (E_RNA)
where:
Base-Base interactions energy: -1587.365
where: short stacking energy: -666.593
Base-Backbone interact. energy: -2.411
local terms energy: -631.306386
where:
bonds (distance) C4'-P energy: -91.806
bonds (distance) P-C4' energy: -92.386
flat angles C4'-P-C4' energy: -155.048
flat angles P-C4'-P energy: -94.527
tors. eta vs tors. theta energy: -197.538
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: 8, replica: 9
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -2194.727212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2194.727212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2209.420417 (E_RNA)
where:
Base-Base interactions energy: -1563.359
where: short stacking energy: -670.218
Base-Backbone interact. energy: -1.605
local terms energy: -644.456408
where:
bonds (distance) C4'-P energy: -107.778
bonds (distance) P-C4' energy: -120.489
flat angles C4'-P-C4' energy: -145.808
flat angles P-C4'-P energy: -77.231
tors. eta vs tors. theta energy: -193.150
Dist. restrs. and SS energy: 14.693 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -2089.929874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2089.929874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2102.099720 (E_RNA)
where:
Base-Base interactions energy: -1447.441
where: short stacking energy: -589.611
Base-Backbone interact. energy: -0.821
local terms energy: -653.837844
where:
bonds (distance) C4'-P energy: -120.181
bonds (distance) P-C4' energy: -136.354
flat angles C4'-P-C4' energy: -138.803
flat angles P-C4'-P energy: -88.223
tors. eta vs tors. theta energy: -170.277
Dist. restrs. and SS energy: 12.170 (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: 6
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -1910.003109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1910.003109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1930.572468 (E_RNA)
where:
Base-Base interactions energy: -1363.139
where: short stacking energy: -540.175
Base-Backbone interact. energy: 5.962
local terms energy: -573.395329
where:
bonds (distance) C4'-P energy: -116.839
bonds (distance) P-C4' energy: -110.499
flat angles C4'-P-C4' energy: -134.086
flat angles P-C4'-P energy: -61.310
tors. eta vs tors. theta energy: -150.661
Dist. restrs. and SS energy: 20.569 (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: 2
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -2812.694084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2812.694084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2815.190847 (E_RNA)
where:
Base-Base interactions energy: -1979.178
where: short stacking energy: -824.076
Base-Backbone interact. energy: -2.018
local terms energy: -833.993893
where:
bonds (distance) C4'-P energy: -148.229
bonds (distance) P-C4' energy: -148.902
flat angles C4'-P-C4' energy: -175.115
flat angles P-C4'-P energy: -115.835
tors. eta vs tors. theta energy: -245.914
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: 8
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -2682.717278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2682.717278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2688.271584 (E_RNA)
where:
Base-Base interactions energy: -1892.545
where: short stacking energy: -796.221
Base-Backbone interact. energy: -2.175
local terms energy: -793.551786
where:
bonds (distance) C4'-P energy: -129.652
bonds (distance) P-C4' energy: -130.299
flat angles C4'-P-C4' energy: -175.717
flat angles P-C4'-P energy: -121.955
tors. eta vs tors. theta energy: -235.929
Dist. restrs. and SS energy: 5.554 (S_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: 265
Temperature: 1.000000
Total energy: -2632.334108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2632.334108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2637.681360 (E_RNA)
where:
Base-Base interactions energy: -1845.706
where: short stacking energy: -785.632
Base-Backbone interact. energy: -1.881
local terms energy: -790.093585
where:
bonds (distance) C4'-P energy: -126.742
bonds (distance) P-C4' energy: -143.503
flat angles C4'-P-C4' energy: -163.636
flat angles P-C4'-P energy: -120.667
tors. eta vs tors. theta energy: -235.546
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: 4, replica: 10
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -2455.488323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2455.488323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2463.523409 (E_RNA)
where:
Base-Base interactions energy: -1708.508
where: short stacking energy: -742.447
Base-Backbone interact. energy: -3.222
local terms energy: -751.793335
where:
bonds (distance) C4'-P energy: -138.744
bonds (distance) P-C4' energy: -126.519
flat angles C4'-P-C4' energy: -157.527
flat angles P-C4'-P energy: -108.585
tors. eta vs tors. theta energy: -220.419
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: 5, replica: 3
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -2414.574465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2414.574465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2420.376036 (E_RNA)
where:
Base-Base interactions energy: -1688.384
where: short stacking energy: -708.864
Base-Backbone interact. energy: -2.495
local terms energy: -729.497755
where:
bonds (distance) C4'-P energy: -113.479
bonds (distance) P-C4' energy: -129.618
flat angles C4'-P-C4' energy: -157.085
flat angles P-C4'-P energy: -111.245
tors. eta vs tors. theta energy: -218.070
Dist. restrs. and SS energy: 5.802 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -2346.987756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2346.987756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2362.247807 (E_RNA)
where:
Base-Base interactions energy: -1654.903
where: short stacking energy: -710.682
Base-Backbone interact. energy: 1.711
local terms energy: -709.056124
where:
bonds (distance) C4'-P energy: -116.879
bonds (distance) P-C4' energy: -126.069
flat angles C4'-P-C4' energy: -152.468
flat angles P-C4'-P energy: -103.705
tors. eta vs tors. theta energy: -209.934
Dist. restrs. and SS energy: 15.260 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -2260.446626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2260.446626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2281.506185 (E_RNA)
where:
Base-Base interactions energy: -1578.890
where: short stacking energy: -671.043
Base-Backbone interact. energy: 1.222
local terms energy: -703.838229
where:
bonds (distance) C4'-P energy: -134.865
bonds (distance) P-C4' energy: -137.274
flat angles C4'-P-C4' energy: -144.297
flat angles P-C4'-P energy: -87.823
tors. eta vs tors. theta energy: -199.579
Dist. restrs. and SS energy: 21.060 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -2108.211369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2108.211369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2119.930106 (E_RNA)
where:
Base-Base interactions energy: -1470.842
where: short stacking energy: -612.364
Base-Backbone interact. energy: -0.777
local terms energy: -648.310999
where:
bonds (distance) C4'-P energy: -117.650
bonds (distance) P-C4' energy: -121.300
flat angles C4'-P-C4' energy: -150.217
flat angles P-C4'-P energy: -78.646
tors. eta vs tors. theta energy: -180.498
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: 9
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -2141.448673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2141.448673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2156.998937 (E_RNA)
where:
Base-Base interactions energy: -1535.792
where: short stacking energy: -638.649
Base-Backbone interact. energy: -0.281
local terms energy: -620.925905
where:
bonds (distance) C4'-P energy: -101.510
bonds (distance) P-C4' energy: -119.337
flat angles C4'-P-C4' energy: -134.138
flat angles P-C4'-P energy: -77.766
tors. eta vs tors. theta energy: -188.175
Dist. restrs. and SS energy: 15.550 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -1991.327089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1991.327089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2010.694666 (E_RNA)
where:
Base-Base interactions energy: -1426.465
where: short stacking energy: -577.213
Base-Backbone interact. energy: -0.095
local terms energy: -584.134662
where:
bonds (distance) C4'-P energy: -91.897
bonds (distance) P-C4' energy: -117.744
flat angles C4'-P-C4' energy: -142.954
flat angles P-C4'-P energy: -74.222
tors. eta vs tors. theta energy: -157.318
Dist. restrs. and SS energy: 19.368 (S_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: 266
Temperature: 0.900000
Total energy: -2791.742761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2791.742761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2795.617965 (E_RNA)
where:
Base-Base interactions energy: -1972.677
where: short stacking energy: -824.975
Base-Backbone interact. energy: -5.196
local terms energy: -817.744508
where:
bonds (distance) C4'-P energy: -135.493
bonds (distance) P-C4' energy: -157.504
flat angles C4'-P-C4' energy: -168.372
flat angles P-C4'-P energy: -117.027
tors. eta vs tors. theta energy: -239.348
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: 2, replica: 8
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -2690.458783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2690.458783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2693.180283 (E_RNA)
where:
Base-Base interactions energy: -1894.946
where: short stacking energy: -803.067
Base-Backbone interact. energy: 1.902
local terms energy: -800.136872
where:
bonds (distance) C4'-P energy: -149.088
bonds (distance) P-C4' energy: -137.355
flat angles C4'-P-C4' energy: -165.702
flat angles P-C4'-P energy: -112.508
tors. eta vs tors. theta energy: -235.485
Dist. restrs. and SS energy: 2.721 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -2595.369817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2595.369817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2599.217313 (E_RNA)
where:
Base-Base interactions energy: -1825.143
where: short stacking energy: -758.956
Base-Backbone interact. energy: -1.468
local terms energy: -772.606146
where:
bonds (distance) C4'-P energy: -140.747
bonds (distance) P-C4' energy: -140.670
flat angles C4'-P-C4' energy: -162.937
flat angles P-C4'-P energy: -102.677
tors. eta vs tors. theta energy: -225.576
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: 4, replica: 10
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -2491.379979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2491.379979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2497.266493 (E_RNA)
where:
Base-Base interactions energy: -1750.802
where: short stacking energy: -727.601
Base-Backbone interact. energy: -2.539
local terms energy: -743.925909
where:
bonds (distance) C4'-P energy: -121.656
bonds (distance) P-C4' energy: -133.000
flat angles C4'-P-C4' energy: -171.585
flat angles P-C4'-P energy: -103.170
tors. eta vs tors. theta energy: -214.515
Dist. restrs. and SS energy: 5.887 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -2402.717331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2402.717331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2412.983107 (E_RNA)
where:
Base-Base interactions energy: -1694.202
where: short stacking energy: -711.282
Base-Backbone interact. energy: -0.450
local terms energy: -718.331135
where:
bonds (distance) C4'-P energy: -122.350
bonds (distance) P-C4' energy: -141.748
flat angles C4'-P-C4' energy: -153.643
flat angles P-C4'-P energy: -87.193
tors. eta vs tors. theta energy: -213.397
Dist. restrs. and SS energy: 10.266 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -2363.044015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2363.044015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2368.222542 (E_RNA)
where:
Base-Base interactions energy: -1623.851
where: short stacking energy: -695.435
Base-Backbone interact. energy: -0.580
local terms energy: -743.791740
where:
bonds (distance) C4'-P energy: -143.309
bonds (distance) P-C4' energy: -138.853
flat angles C4'-P-C4' energy: -153.839
flat angles P-C4'-P energy: -101.352
tors. eta vs tors. theta energy: -206.438
Dist. restrs. and SS energy: 5.179 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -2220.681307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2220.681307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2235.834303 (E_RNA)
where:
Base-Base interactions energy: -1560.035
where: short stacking energy: -629.199
Base-Backbone interact. energy: 1.646
local terms energy: -677.445566
where:
bonds (distance) C4'-P energy: -125.867
bonds (distance) P-C4' energy: -120.254
flat angles C4'-P-C4' energy: -153.745
flat angles P-C4'-P energy: -85.459
tors. eta vs tors. theta energy: -192.122
Dist. restrs. and SS energy: 15.153 (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: 266
Temperature: 1.250000
Total energy: -2097.219650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2097.219650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2110.731282 (E_RNA)
where:
Base-Base interactions energy: -1494.856
where: short stacking energy: -624.567
Base-Backbone interact. energy: -2.368
local terms energy: -613.508129
where:
bonds (distance) C4'-P energy: -80.907
bonds (distance) P-C4' energy: -122.574
flat angles C4'-P-C4' energy: -147.215
flat angles P-C4'-P energy: -88.929
tors. eta vs tors. theta energy: -173.884
Dist. restrs. and SS energy: 13.512 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -2078.254013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2078.254013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2094.062158 (E_RNA)
where:
Base-Base interactions energy: -1494.516
where: short stacking energy: -622.331
Base-Backbone interact. energy: -0.870
local terms energy: -598.675706
where:
bonds (distance) C4'-P energy: -118.451
bonds (distance) P-C4' energy: -95.704
flat angles C4'-P-C4' energy: -125.433
flat angles P-C4'-P energy: -76.516
tors. eta vs tors. theta energy: -182.571
Dist. restrs. and SS energy: 15.808 (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: 6
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -1941.225554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1941.225554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.171051 (E_RNA)
where:
Base-Base interactions energy: -1376.922
where: short stacking energy: -590.522
Base-Backbone interact. energy: 2.949
local terms energy: -584.197799
where:
bonds (distance) C4'-P energy: -121.320
bonds (distance) P-C4' energy: -110.419
flat angles C4'-P-C4' energy: -120.739
flat angles P-C4'-P energy: -77.417
tors. eta vs tors. theta energy: -154.303
Dist. restrs. and SS energy: 16.945 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -2810.254746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2810.254746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2812.861665 (E_RNA)
where:
Base-Base interactions energy: -1969.466
where: short stacking energy: -810.449
Base-Backbone interact. energy: -3.827
local terms energy: -839.568475
where:
bonds (distance) C4'-P energy: -144.444
bonds (distance) P-C4' energy: -141.984
flat angles C4'-P-C4' energy: -170.059
flat angles P-C4'-P energy: -134.653
tors. eta vs tors. theta energy: -248.430
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: 8
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -2693.239055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2693.239055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2698.579134 (E_RNA)
where:
Base-Base interactions energy: -1917.543
where: short stacking energy: -809.090
Base-Backbone interact. energy: 3.460
local terms energy: -784.495582
where:
bonds (distance) C4'-P energy: -123.754
bonds (distance) P-C4' energy: -142.795
flat angles C4'-P-C4' energy: -171.258
flat angles P-C4'-P energy: -107.157
tors. eta vs tors. theta energy: -239.531
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: 3, replica: 5
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -2618.667857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2618.667857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2622.816658 (E_RNA)
where:
Base-Base interactions energy: -1822.909
where: short stacking energy: -770.763
Base-Backbone interact. energy: 2.984
local terms energy: -802.891528
where:
bonds (distance) C4'-P energy: -136.145
bonds (distance) P-C4' energy: -149.249
flat angles C4'-P-C4' energy: -165.866
flat angles P-C4'-P energy: -115.880
tors. eta vs tors. theta energy: -235.753
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: 4, replica: 10
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -2490.876439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2490.876439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2500.533730 (E_RNA)
where:
Base-Base interactions energy: -1738.474
where: short stacking energy: -752.716
Base-Backbone interact. energy: -5.774
local terms energy: -756.285891
where:
bonds (distance) C4'-P energy: -134.086
bonds (distance) P-C4' energy: -115.516
flat angles C4'-P-C4' energy: -172.375
flat angles P-C4'-P energy: -102.793
tors. eta vs tors. theta energy: -231.515
Dist. restrs. and SS energy: 9.657 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -2422.054997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2422.054997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2433.190821 (E_RNA)
where:
Base-Base interactions energy: -1725.324
where: short stacking energy: -712.438
Base-Backbone interact. energy: 2.500
local terms energy: -710.366393
where:
bonds (distance) C4'-P energy: -121.723
bonds (distance) P-C4' energy: -142.536
flat angles C4'-P-C4' energy: -152.170
flat angles P-C4'-P energy: -96.081
tors. eta vs tors. theta energy: -197.857
Dist. restrs. and SS energy: 11.136 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -2407.163931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2407.163931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2416.512229 (E_RNA)
where:
Base-Base interactions energy: -1702.755
where: short stacking energy: -723.961
Base-Backbone interact. energy: -1.697
local terms energy: -712.060549
where:
bonds (distance) C4'-P energy: -120.483
bonds (distance) P-C4' energy: -115.729
flat angles C4'-P-C4' energy: -164.021
flat angles P-C4'-P energy: -93.289
tors. eta vs tors. theta energy: -218.538
Dist. restrs. and SS energy: 9.348 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -2243.129538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2243.129538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2255.873413 (E_RNA)
where:
Base-Base interactions energy: -1605.320
where: short stacking energy: -638.103
Base-Backbone interact. energy: -2.144
local terms energy: -648.409627
where:
bonds (distance) C4'-P energy: -120.991
bonds (distance) P-C4' energy: -125.070
flat angles C4'-P-C4' energy: -123.919
flat angles P-C4'-P energy: -89.789
tors. eta vs tors. theta energy: -188.640
Dist. restrs. and SS energy: 12.744 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -2137.981350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2137.981350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2146.757963 (E_RNA)
where:
Base-Base interactions energy: -1485.345
where: short stacking energy: -620.734
Base-Backbone interact. energy: 0.131
local terms energy: -661.544688
where:
bonds (distance) C4'-P energy: -129.083
bonds (distance) P-C4' energy: -129.996
flat angles C4'-P-C4' energy: -135.875
flat angles P-C4'-P energy: -84.106
tors. eta vs tors. theta energy: -182.485
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: 9
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -1989.751261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1989.751261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.233860 (E_RNA)
where:
Base-Base interactions energy: -1406.990
where: short stacking energy: -579.550
Base-Backbone interact. energy: 0.143
local terms energy: -595.386441
where:
bonds (distance) C4'-P energy: -99.130
bonds (distance) P-C4' energy: -105.823
flat angles C4'-P-C4' energy: -137.435
flat angles P-C4'-P energy: -82.252
tors. eta vs tors. theta energy: -170.746
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: 10, replica: 6
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -1964.036277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.036277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1982.919536 (E_RNA)
where:
Base-Base interactions energy: -1399.720
where: short stacking energy: -567.837
Base-Backbone interact. energy: -0.258
local terms energy: -582.941610
where:
bonds (distance) C4'-P energy: -96.720
bonds (distance) P-C4' energy: -120.822
flat angles C4'-P-C4' energy: -123.616
flat angles P-C4'-P energy: -83.943
tors. eta vs tors. theta energy: -157.841
Dist. restrs. and SS energy: 18.883 (S_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: 268
Temperature: 0.900000
Total energy: -2821.232508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2821.232508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2825.374741 (E_RNA)
where:
Base-Base interactions energy: -1985.046
where: short stacking energy: -825.202
Base-Backbone interact. energy: -3.671
local terms energy: -836.657651
where:
bonds (distance) C4'-P energy: -140.910
bonds (distance) P-C4' energy: -164.332
flat angles C4'-P-C4' energy: -168.605
flat angles P-C4'-P energy: -118.281
tors. eta vs tors. theta energy: -244.529
Dist. restrs. and SS energy: 4.142 (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: 8
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -2675.655563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2675.655563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2682.958476 (E_RNA)
where:
Base-Base interactions energy: -1885.540
where: short stacking energy: -782.176
Base-Backbone interact. energy: -0.736
local terms energy: -796.682913
where:
bonds (distance) C4'-P energy: -134.987
bonds (distance) P-C4' energy: -143.885
flat angles C4'-P-C4' energy: -170.460
flat angles P-C4'-P energy: -113.346
tors. eta vs tors. theta energy: -234.006
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: 3, replica: 5
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -2621.279384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2621.279384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2626.853493 (E_RNA)
where:
Base-Base interactions energy: -1839.328
where: short stacking energy: -784.246
Base-Backbone interact. energy: -3.087
local terms energy: -784.438390
where:
bonds (distance) C4'-P energy: -128.558
bonds (distance) P-C4' energy: -138.742
flat angles C4'-P-C4' energy: -156.497
flat angles P-C4'-P energy: -129.521
tors. eta vs tors. theta energy: -231.121
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: 4, replica: 10
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -2515.852283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2515.852283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2523.671264 (E_RNA)
where:
Base-Base interactions energy: -1768.108
where: short stacking energy: -737.390
Base-Backbone interact. energy: -3.820
local terms energy: -751.742985
where:
bonds (distance) C4'-P energy: -128.761
bonds (distance) P-C4' energy: -141.511
flat angles C4'-P-C4' energy: -158.862
flat angles P-C4'-P energy: -112.390
tors. eta vs tors. theta energy: -210.218
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: 4
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -2389.883687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2389.883687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2399.974112 (E_RNA)
where:
Base-Base interactions energy: -1700.329
where: short stacking energy: -714.482
Base-Backbone interact. energy: 1.160
local terms energy: -700.805340
where:
bonds (distance) C4'-P energy: -125.027
bonds (distance) P-C4' energy: -113.558
flat angles C4'-P-C4' energy: -149.501
flat angles P-C4'-P energy: -103.896
tors. eta vs tors. theta energy: -208.823
Dist. restrs. and SS energy: 10.090 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -2338.066548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2338.066548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2345.300607 (E_RNA)
where:
Base-Base interactions energy: -1640.335
where: short stacking energy: -691.812
Base-Backbone interact. energy: -3.632
local terms energy: -701.332661
where:
bonds (distance) C4'-P energy: -124.823
bonds (distance) P-C4' energy: -128.552
flat angles C4'-P-C4' energy: -140.206
flat angles P-C4'-P energy: -90.632
tors. eta vs tors. theta energy: -217.119
Dist. restrs. and SS energy: 7.234 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -2256.889769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2256.889769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2267.163168 (E_RNA)
where:
Base-Base interactions energy: -1565.262
where: short stacking energy: -667.533
Base-Backbone interact. energy: -0.684
local terms energy: -701.217160
where:
bonds (distance) C4'-P energy: -114.833
bonds (distance) P-C4' energy: -139.059
flat angles C4'-P-C4' energy: -157.074
flat angles P-C4'-P energy: -85.058
tors. eta vs tors. theta energy: -205.194
Dist. restrs. and SS energy: 10.273 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -2103.849141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2103.849141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2120.913198 (E_RNA)
where:
Base-Base interactions energy: -1497.055
where: short stacking energy: -618.349
Base-Backbone interact. energy: -0.169
local terms energy: -623.689160
where:
bonds (distance) C4'-P energy: -101.436
bonds (distance) P-C4' energy: -123.729
flat angles C4'-P-C4' energy: -132.432
flat angles P-C4'-P energy: -78.028
tors. eta vs tors. theta energy: -188.064
Dist. restrs. and SS energy: 17.064 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -2006.904251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2006.904251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2024.783977 (E_RNA)
where:
Base-Base interactions energy: -1417.514
where: short stacking energy: -569.863
Base-Backbone interact. energy: 0.703
local terms energy: -607.972369
where:
bonds (distance) C4'-P energy: -111.540
bonds (distance) P-C4' energy: -120.966
flat angles C4'-P-C4' energy: -123.246
flat angles P-C4'-P energy: -85.885
tors. eta vs tors. theta energy: -166.336
Dist. restrs. and SS energy: 17.880 (S_DIST_RNA)
chem. 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: -1890.951121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.951121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1910.833249 (E_RNA)
where:
Base-Base interactions energy: -1331.141
where: short stacking energy: -538.001
Base-Backbone interact. energy: -3.687
local terms energy: -576.005278
where:
bonds (distance) C4'-P energy: -119.898
bonds (distance) P-C4' energy: -99.706
flat angles C4'-P-C4' energy: -112.712
flat angles P-C4'-P energy: -100.009
tors. eta vs tors. theta energy: -143.680
Dist. restrs. and SS energy: 19.882 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -2817.920739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2817.920739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2820.266660 (E_RNA)
where:
Base-Base interactions energy: -1997.204
where: short stacking energy: -821.355
Base-Backbone interact. energy: -1.510
local terms energy: -821.552395
where:
bonds (distance) C4'-P energy: -158.771
bonds (distance) P-C4' energy: -133.568
flat angles C4'-P-C4' energy: -173.863
flat angles P-C4'-P energy: -110.456
tors. eta vs tors. theta energy: -244.895
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: 2, replica: 8
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -2663.205028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2663.205028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2666.198416 (E_RNA)
where:
Base-Base interactions energy: -1847.516
where: short stacking energy: -791.052
Base-Backbone interact. energy: -3.450
local terms energy: -815.232298
where:
bonds (distance) C4'-P energy: -142.970
bonds (distance) P-C4' energy: -148.786
flat angles C4'-P-C4' energy: -166.130
flat angles P-C4'-P energy: -124.370
tors. eta vs tors. theta energy: -232.976
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: 3, replica: 5
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -2612.831676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2612.831676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2616.767449 (E_RNA)
where:
Base-Base interactions energy: -1846.306
where: short stacking energy: -772.690
Base-Backbone interact. energy: 4.755
local terms energy: -775.216501
where:
bonds (distance) C4'-P energy: -129.509
bonds (distance) P-C4' energy: -133.431
flat angles C4'-P-C4' energy: -156.193
flat angles P-C4'-P energy: -125.901
tors. eta vs tors. theta energy: -230.183
Dist. restrs. and SS energy: 3.936 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -2494.561710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2494.561710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2500.077100 (E_RNA)
where:
Base-Base interactions energy: -1740.717
where: short stacking energy: -720.419
Base-Backbone interact. energy: -2.159
local terms energy: -757.200826
where:
bonds (distance) C4'-P energy: -141.100
bonds (distance) P-C4' energy: -135.672
flat angles C4'-P-C4' energy: -163.505
flat angles P-C4'-P energy: -103.450
tors. eta vs tors. theta energy: -213.474
Dist. restrs. and SS energy: 5.515 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -2346.365628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2346.365628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2356.320629 (E_RNA)
where:
Base-Base interactions energy: -1633.790
where: short stacking energy: -687.820
Base-Backbone interact. energy: -3.574
local terms energy: -718.955868
where:
bonds (distance) C4'-P energy: -124.935
bonds (distance) P-C4' energy: -133.129
flat angles C4'-P-C4' energy: -150.498
flat angles P-C4'-P energy: -104.865
tors. eta vs tors. theta energy: -205.529
Dist. restrs. and SS energy: 9.955 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -2356.009013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2356.009013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2363.942139 (E_RNA)
where:
Base-Base interactions energy: -1687.513
where: short stacking energy: -666.046
Base-Backbone interact. energy: -4.587
local terms energy: -671.841910
where:
bonds (distance) C4'-P energy: -104.892
bonds (distance) P-C4' energy: -124.675
flat angles C4'-P-C4' energy: -148.857
flat angles P-C4'-P energy: -91.237
tors. eta vs tors. theta energy: -202.181
Dist. restrs. and SS energy: 7.933 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -2234.452826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2234.452826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2248.836653 (E_RNA)
where:
Base-Base interactions energy: -1596.318
where: short stacking energy: -647.036
Base-Backbone interact. energy: -3.665
local terms energy: -648.853508
where:
bonds (distance) C4'-P energy: -112.304
bonds (distance) P-C4' energy: -113.469
flat angles C4'-P-C4' energy: -142.751
flat angles P-C4'-P energy: -84.163
tors. eta vs tors. theta energy: -196.166
Dist. restrs. and SS energy: 14.384 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -2167.252259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2167.252259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2181.179330 (E_RNA)
where:
Base-Base interactions energy: -1532.872
where: short stacking energy: -644.189
Base-Backbone interact. energy: -1.518
local terms energy: -646.788451
where:
bonds (distance) C4'-P energy: -114.819
bonds (distance) P-C4' energy: -129.461
flat angles C4'-P-C4' energy: -137.512
flat angles P-C4'-P energy: -79.756
tors. eta vs tors. theta energy: -185.241
Dist. restrs. and SS energy: 13.927 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -2049.657581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2049.657581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2059.622864 (E_RNA)
where:
Base-Base interactions energy: -1447.614
where: short stacking energy: -563.855
Base-Backbone interact. energy: -4.834
local terms energy: -607.175076
where:
bonds (distance) C4'-P energy: -100.428
bonds (distance) P-C4' energy: -126.425
flat angles C4'-P-C4' energy: -138.812
flat angles P-C4'-P energy: -70.192
tors. eta vs tors. theta energy: -171.318
Dist. restrs. and SS energy: 9.965 (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: 6
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -1900.528425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1900.528425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1920.734495 (E_RNA)
where:
Base-Base interactions energy: -1363.114
where: short stacking energy: -528.824
Base-Backbone interact. energy: -0.856
local terms energy: -556.764531
where:
bonds (distance) C4'-P energy: -91.386
bonds (distance) P-C4' energy: -124.238
flat angles C4'-P-C4' energy: -113.821
flat angles P-C4'-P energy: -77.387
tors. eta vs tors. theta energy: -149.932
Dist. restrs. and SS energy: 20.206 (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: 2
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -2793.084251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2793.084251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2796.111317 (E_RNA)
where:
Base-Base interactions energy: -1946.204
where: short stacking energy: -816.557
Base-Backbone interact. energy: -1.344
local terms energy: -848.563622
where:
bonds (distance) C4'-P energy: -151.174
bonds (distance) P-C4' energy: -143.453
flat angles C4'-P-C4' energy: -179.318
flat angles P-C4'-P energy: -128.065
tors. eta vs tors. theta energy: -246.555
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: 8
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -2647.650850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2647.650850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2649.645248 (E_RNA)
where:
Base-Base interactions energy: -1870.346
where: short stacking energy: -807.054
Base-Backbone interact. energy: 0.166
local terms energy: -779.464992
where:
bonds (distance) C4'-P energy: -116.949
bonds (distance) P-C4' energy: -144.791
flat angles C4'-P-C4' energy: -175.880
flat angles P-C4'-P energy: -103.822
tors. eta vs tors. theta energy: -238.023
Dist. restrs. and SS energy: 1.994 (S_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: 270
Temperature: 1.000000
Total energy: -2579.224256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2579.224256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2584.947497 (E_RNA)
where:
Base-Base interactions energy: -1814.882
where: short stacking energy: -770.478
Base-Backbone interact. energy: -3.718
local terms energy: -766.348122
where:
bonds (distance) C4'-P energy: -153.021
bonds (distance) P-C4' energy: -142.224
flat angles C4'-P-C4' energy: -160.503
flat angles P-C4'-P energy: -86.200
tors. eta vs tors. theta energy: -224.400
Dist. restrs. and SS energy: 5.723 (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: 10
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -2514.211440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2514.211440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2519.278868 (E_RNA)
where:
Base-Base interactions energy: -1759.850
where: short stacking energy: -731.657
Base-Backbone interact. energy: -2.173
local terms energy: -757.255704
where:
bonds (distance) C4'-P energy: -130.721
bonds (distance) P-C4' energy: -137.127
flat angles C4'-P-C4' energy: -161.402
flat angles P-C4'-P energy: -107.591
tors. eta vs tors. theta energy: -220.413
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: 3
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -2451.714237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2451.714237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2458.289061 (E_RNA)
where:
Base-Base interactions energy: -1716.741
where: short stacking energy: -720.669
Base-Backbone interact. energy: -2.699
local terms energy: -738.849316
where:
bonds (distance) C4'-P energy: -128.405
bonds (distance) P-C4' energy: -139.087
flat angles C4'-P-C4' energy: -157.933
flat angles P-C4'-P energy: -104.657
tors. eta vs tors. theta energy: -208.768
Dist. restrs. and SS energy: 6.575 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -2294.542049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2294.542049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2309.782611 (E_RNA)
where:
Base-Base interactions energy: -1631.623
where: short stacking energy: -677.497
Base-Backbone interact. energy: -3.207
local terms energy: -674.952251
where:
bonds (distance) C4'-P energy: -114.462
bonds (distance) P-C4' energy: -116.171
flat angles C4'-P-C4' energy: -157.954
flat angles P-C4'-P energy: -97.169
tors. eta vs tors. theta energy: -189.195
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: 7
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -2223.978810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2223.978810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2238.039478 (E_RNA)
where:
Base-Base interactions energy: -1578.965
where: short stacking energy: -646.031
Base-Backbone interact. energy: 6.122
local terms energy: -665.196023
where:
bonds (distance) C4'-P energy: -119.740
bonds (distance) P-C4' energy: -127.592
flat angles C4'-P-C4' energy: -140.287
flat angles P-C4'-P energy: -97.599
tors. eta vs tors. theta energy: -179.978
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: 8, replica: 1
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -2146.921816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2146.921816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2160.672889 (E_RNA)
where:
Base-Base interactions energy: -1528.107
where: short stacking energy: -629.277
Base-Backbone interact. energy: -1.342
local terms energy: -631.223820
where:
bonds (distance) C4'-P energy: -104.379
bonds (distance) P-C4' energy: -115.957
flat angles C4'-P-C4' energy: -154.054
flat angles P-C4'-P energy: -88.754
tors. eta vs tors. theta energy: -168.080
Dist. restrs. and SS energy: 13.751 (S_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: 270
Temperature: 1.300000
Total energy: -2052.189808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2052.189808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2063.938807 (E_RNA)
where:
Base-Base interactions energy: -1440.987
where: short stacking energy: -581.141
Base-Backbone interact. energy: -3.694
local terms energy: -619.257315
where:
bonds (distance) C4'-P energy: -112.000
bonds (distance) P-C4' energy: -114.962
flat angles C4'-P-C4' energy: -133.917
flat angles P-C4'-P energy: -80.997
tors. eta vs tors. theta energy: -177.382
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: 10, replica: 6
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -1945.652665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1945.652665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.102305 (E_RNA)
where:
Base-Base interactions energy: -1380.186
where: short stacking energy: -568.941
Base-Backbone interact. energy: 1.603
local terms energy: -581.519088
where:
bonds (distance) C4'-P energy: -103.290
bonds (distance) P-C4' energy: -118.572
flat angles C4'-P-C4' energy: -126.930
flat angles P-C4'-P energy: -81.010
tors. eta vs tors. theta energy: -151.717
Dist. restrs. and SS energy: 14.450 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -2800.626249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2800.626249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2805.477657 (E_RNA)
where:
Base-Base interactions energy: -1974.400
where: short stacking energy: -825.058
Base-Backbone interact. energy: -3.996
local terms energy: -827.082119
where:
bonds (distance) C4'-P energy: -156.274
bonds (distance) P-C4' energy: -141.309
flat angles C4'-P-C4' energy: -161.303
flat angles P-C4'-P energy: -121.984
tors. eta vs tors. theta energy: -246.211
Dist. restrs. and SS energy: 4.851 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -2666.873925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2666.873925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2670.453019 (E_RNA)
where:
Base-Base interactions energy: -1877.437
where: short stacking energy: -788.543
Base-Backbone interact. energy: -4.039
local terms energy: -788.977191
where:
bonds (distance) C4'-P energy: -126.470
bonds (distance) P-C4' energy: -135.811
flat angles C4'-P-C4' energy: -166.622
flat angles P-C4'-P energy: -127.493
tors. eta vs tors. theta energy: -232.580
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: 5
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -2588.791816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2588.791816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2592.899125 (E_RNA)
where:
Base-Base interactions energy: -1809.526
where: short stacking energy: -778.152
Base-Backbone interact. energy: -0.317
local terms energy: -783.056634
where:
bonds (distance) C4'-P energy: -130.220
bonds (distance) P-C4' energy: -131.639
flat angles C4'-P-C4' energy: -171.340
flat angles P-C4'-P energy: -114.364
tors. eta vs tors. theta energy: -235.494
Dist. restrs. and SS energy: 4.107 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -2522.742220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2522.742220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2530.376151 (E_RNA)
where:
Base-Base interactions energy: -1800.809
where: short stacking energy: -749.529
Base-Backbone interact. energy: -0.718
local terms energy: -728.849326
where:
bonds (distance) C4'-P energy: -121.136
bonds (distance) P-C4' energy: -134.499
flat angles C4'-P-C4' energy: -155.037
flat angles P-C4'-P energy: -99.767
tors. eta vs tors. theta energy: -218.410
Dist. restrs. and SS energy: 7.634 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -2481.167341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2481.167341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2486.799093 (E_RNA)
where:
Base-Base interactions energy: -1765.352
where: short stacking energy: -740.293
Base-Backbone interact. energy: -2.331
local terms energy: -719.115661
where:
bonds (distance) C4'-P energy: -120.954
bonds (distance) P-C4' energy: -127.340
flat angles C4'-P-C4' energy: -166.728
flat angles P-C4'-P energy: -108.367
tors. eta vs tors. theta energy: -195.727
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: 6, replica: 7
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -2360.497845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2360.497845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2371.390954 (E_RNA)
where:
Base-Base interactions energy: -1669.591
where: short stacking energy: -710.565
Base-Backbone interact. energy: 0.646
local terms energy: -702.446220
where:
bonds (distance) C4'-P energy: -122.440
bonds (distance) P-C4' energy: -115.011
flat angles C4'-P-C4' energy: -155.017
flat angles P-C4'-P energy: -97.667
tors. eta vs tors. theta energy: -212.311
Dist. restrs. and SS energy: 10.893 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -2258.525711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2258.525711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2272.492054 (E_RNA)
where:
Base-Base interactions energy: -1584.456
where: short stacking energy: -653.228
Base-Backbone interact. energy: -0.589
local terms energy: -687.446154
where:
bonds (distance) C4'-P energy: -133.372
bonds (distance) P-C4' energy: -125.497
flat angles C4'-P-C4' energy: -134.033
flat angles P-C4'-P energy: -87.478
tors. eta vs tors. theta energy: -207.066
Dist. restrs. and SS energy: 13.966 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -2148.149163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2148.149163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2163.494890 (E_RNA)
where:
Base-Base interactions energy: -1551.706
where: short stacking energy: -659.617
Base-Backbone interact. energy: -1.321
local terms energy: -610.468154
where:
bonds (distance) C4'-P energy: -86.150
bonds (distance) P-C4' energy: -102.688
flat angles C4'-P-C4' energy: -141.465
flat angles P-C4'-P energy: -95.602
tors. eta vs tors. theta energy: -184.562
Dist. restrs. and SS energy: 15.346 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -2099.487277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2099.487277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2121.654177 (E_RNA)
where:
Base-Base interactions energy: -1510.079
where: short stacking energy: -646.182
Base-Backbone interact. energy: -1.887
local terms energy: -609.688268
where:
bonds (distance) C4'-P energy: -107.651
bonds (distance) P-C4' energy: -106.882
flat angles C4'-P-C4' energy: -125.103
flat angles P-C4'-P energy: -86.164
tors. eta vs tors. theta energy: -183.888
Dist. restrs. and SS energy: 22.167 (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: 6
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -1982.489837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1982.489837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.206795 (E_RNA)
where:
Base-Base interactions energy: -1415.908
where: short stacking energy: -590.707
Base-Backbone interact. energy: 1.041
local terms energy: -591.339501
where:
bonds (distance) C4'-P energy: -100.527
bonds (distance) P-C4' energy: -112.374
flat angles C4'-P-C4' energy: -140.428
flat angles P-C4'-P energy: -80.212
tors. eta vs tors. theta energy: -157.797
Dist. restrs. and SS energy: 23.717 (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: 2
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -2832.355019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2832.355019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2837.141542 (E_RNA)
where:
Base-Base interactions energy: -2003.101
where: short stacking energy: -825.904
Base-Backbone interact. energy: -3.191
local terms energy: -830.849255
where:
bonds (distance) C4'-P energy: -141.992
bonds (distance) P-C4' energy: -146.924
flat angles C4'-P-C4' energy: -170.714
flat angles P-C4'-P energy: -126.183
tors. eta vs tors. theta energy: -245.036
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: 2, replica: 8
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -2677.780582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2677.780582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2681.592826 (E_RNA)
where:
Base-Base interactions energy: -1890.210
where: short stacking energy: -787.516
Base-Backbone interact. energy: -4.578
local terms energy: -786.805107
where:
bonds (distance) C4'-P energy: -153.029
bonds (distance) P-C4' energy: -134.080
flat angles C4'-P-C4' energy: -163.129
flat angles P-C4'-P energy: -100.079
tors. eta vs tors. theta energy: -236.488
Dist. restrs. and SS energy: 3.812 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -2586.262568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2586.262568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2589.400308 (E_RNA)
where:
Base-Base interactions energy: -1786.464
where: short stacking energy: -769.124
Base-Backbone interact. energy: 5.777
local terms energy: -808.713129
where:
bonds (distance) C4'-P energy: -142.703
bonds (distance) P-C4' energy: -144.847
flat angles C4'-P-C4' energy: -169.871
flat angles P-C4'-P energy: -119.195
tors. eta vs tors. theta energy: -232.098
Dist. restrs. and SS energy: 3.138 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -2546.894514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2546.894514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2551.804388 (E_RNA)
where:
Base-Base interactions energy: -1792.860
where: short stacking energy: -758.630
Base-Backbone interact. energy: -2.274
local terms energy: -756.669941
where:
bonds (distance) C4'-P energy: -136.797
bonds (distance) P-C4' energy: -143.100
flat angles C4'-P-C4' energy: -152.437
flat angles P-C4'-P energy: -109.364
tors. eta vs tors. theta energy: -214.972
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: 5, replica: 3
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -2463.740669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2463.740669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2470.669996 (E_RNA)
where:
Base-Base interactions energy: -1706.041
where: short stacking energy: -701.936
Base-Backbone interact. energy: -3.168
local terms energy: -761.460597
where:
bonds (distance) C4'-P energy: -122.597
bonds (distance) P-C4' energy: -145.417
flat angles C4'-P-C4' energy: -169.366
flat angles P-C4'-P energy: -104.755
tors. eta vs tors. theta energy: -219.326
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: 7
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -2311.014571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2311.014571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2323.523344 (E_RNA)
where:
Base-Base interactions energy: -1616.111
where: short stacking energy: -659.977
Base-Backbone interact. energy: 1.248
local terms energy: -708.660347
where:
bonds (distance) C4'-P energy: -111.611
bonds (distance) P-C4' energy: -134.853
flat angles C4'-P-C4' energy: -153.072
flat angles P-C4'-P energy: -109.405
tors. eta vs tors. theta energy: -199.720
Dist. restrs. and SS energy: 12.509 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -2233.201268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2233.201268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2250.384256 (E_RNA)
where:
Base-Base interactions energy: -1577.115
where: short stacking energy: -628.279
Base-Backbone interact. energy: -0.886
local terms energy: -672.383916
where:
bonds (distance) C4'-P energy: -120.997
bonds (distance) P-C4' energy: -115.820
flat angles C4'-P-C4' energy: -152.997
flat angles P-C4'-P energy: -96.625
tors. eta vs tors. theta energy: -185.944
Dist. restrs. and SS energy: 17.183 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -2152.281852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2152.281852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2175.592455 (E_RNA)
where:
Base-Base interactions energy: -1527.189
where: short stacking energy: -636.023
Base-Backbone interact. energy: -1.216
local terms energy: -647.187260
where:
bonds (distance) C4'-P energy: -109.037
bonds (distance) P-C4' energy: -122.344
flat angles C4'-P-C4' energy: -139.412
flat angles P-C4'-P energy: -89.289
tors. eta vs tors. theta energy: -187.105
Dist. restrs. and SS energy: 23.311 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -2129.134878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2129.134878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2143.633791 (E_RNA)
where:
Base-Base interactions energy: -1493.385
where: short stacking energy: -615.400
Base-Backbone interact. energy: -1.107
local terms energy: -649.142565
where:
bonds (distance) C4'-P energy: -119.994
bonds (distance) P-C4' energy: -118.631
flat angles C4'-P-C4' energy: -140.175
flat angles P-C4'-P energy: -82.181
tors. eta vs tors. theta energy: -188.162
Dist. restrs. and SS energy: 14.499 (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: 6
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -1961.513103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1961.513103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1989.389931 (E_RNA)
where:
Base-Base interactions energy: -1377.865
where: short stacking energy: -546.365
Base-Backbone interact. energy: 1.108
local terms energy: -612.633863
where:
bonds (distance) C4'-P energy: -128.285
bonds (distance) P-C4' energy: -115.911
flat angles C4'-P-C4' energy: -122.075
flat angles P-C4'-P energy: -93.579
tors. eta vs tors. theta energy: -152.784
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: 1, replica: 2
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -2802.237259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2802.237259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2808.331378 (E_RNA)
where:
Base-Base interactions energy: -1974.065
where: short stacking energy: -818.782
Base-Backbone interact. energy: -3.265
local terms energy: -831.000939
where:
bonds (distance) C4'-P energy: -147.971
bonds (distance) P-C4' energy: -152.861
flat angles C4'-P-C4' energy: -173.702
flat angles P-C4'-P energy: -117.272
tors. eta vs tors. theta energy: -239.196
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: 2, replica: 8
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -2667.792409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2667.792409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2670.939262 (E_RNA)
where:
Base-Base interactions energy: -1885.398
where: short stacking energy: -776.960
Base-Backbone interact. energy: -1.587
local terms energy: -783.954181
where:
bonds (distance) C4'-P energy: -140.597
bonds (distance) P-C4' energy: -130.246
flat angles C4'-P-C4' energy: -167.188
flat angles P-C4'-P energy: -113.617
tors. eta vs tors. theta energy: -232.305
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: 3, replica: 5
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -2613.183973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2613.183973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2617.739773 (E_RNA)
where:
Base-Base interactions energy: -1832.313
where: short stacking energy: -783.514
Base-Backbone interact. energy: -0.422
local terms energy: -785.004652
where:
bonds (distance) C4'-P energy: -131.533
bonds (distance) P-C4' energy: -140.112
flat angles C4'-P-C4' energy: -158.287
flat angles P-C4'-P energy: -119.365
tors. eta vs tors. theta energy: -235.707
Dist. restrs. and SS energy: 4.556 (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: 273
Temperature: 1.050000
Total energy: -2493.434528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2493.434528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2496.774040 (E_RNA)
where:
Base-Base interactions energy: -1768.011
where: short stacking energy: -740.155
Base-Backbone interact. energy: -3.203
local terms energy: -725.559863
where:
bonds (distance) C4'-P energy: -125.979
bonds (distance) P-C4' energy: -123.990
flat angles C4'-P-C4' energy: -166.140
flat angles P-C4'-P energy: -99.756
tors. eta vs tors. theta energy: -209.695
Dist. restrs. and SS energy: 3.340 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -2431.977533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2431.977533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2442.551212 (E_RNA)
where:
Base-Base interactions energy: -1733.549
where: short stacking energy: -751.749
Base-Backbone interact. energy: 0.392
local terms energy: -709.393890
where:
bonds (distance) C4'-P energy: -113.141
bonds (distance) P-C4' energy: -117.329
flat angles C4'-P-C4' energy: -164.429
flat angles P-C4'-P energy: -103.678
tors. eta vs tors. theta energy: -210.817
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: 6, replica: 7
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -2305.406882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2305.406882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2314.833655 (E_RNA)
where:
Base-Base interactions energy: -1643.798
where: short stacking energy: -700.369
Base-Backbone interact. energy: -1.506
local terms energy: -669.530254
where:
bonds (distance) C4'-P energy: -123.289
bonds (distance) P-C4' energy: -111.307
flat angles C4'-P-C4' energy: -151.037
flat angles P-C4'-P energy: -81.935
tors. eta vs tors. theta energy: -201.962
Dist. restrs. and SS energy: 9.427 (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: 4
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -2240.382271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2240.382271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2262.964298 (E_RNA)
where:
Base-Base interactions energy: -1600.445
where: short stacking energy: -646.872
Base-Backbone interact. energy: -0.741
local terms energy: -661.778359
where:
bonds (distance) C4'-P energy: -118.475
bonds (distance) P-C4' energy: -113.454
flat angles C4'-P-C4' energy: -158.273
flat angles P-C4'-P energy: -82.429
tors. eta vs tors. theta energy: -189.146
Dist. restrs. and SS energy: 22.582 (S_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: 273
Temperature: 1.250000
Total energy: -2159.741005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2159.741005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2175.069933 (E_RNA)
where:
Base-Base interactions energy: -1551.281
where: short stacking energy: -657.970
Base-Backbone interact. energy: 0.395
local terms energy: -624.183639
where:
bonds (distance) C4'-P energy: -118.175
bonds (distance) P-C4' energy: -107.111
flat angles C4'-P-C4' energy: -135.225
flat angles P-C4'-P energy: -82.246
tors. eta vs tors. theta energy: -181.426
Dist. restrs. and SS energy: 15.329 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -2107.398868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2107.398868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2118.777937 (E_RNA)
where:
Base-Base interactions energy: -1511.504
where: short stacking energy: -603.151
Base-Backbone interact. energy: -4.017
local terms energy: -603.257389
where:
bonds (distance) C4'-P energy: -104.779
bonds (distance) P-C4' energy: -115.406
flat angles C4'-P-C4' energy: -130.878
flat angles P-C4'-P energy: -79.259
tors. eta vs tors. theta energy: -172.934
Dist. restrs. and SS energy: 11.379 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -1940.293392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1940.293392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.791951 (E_RNA)
where:
Base-Base interactions energy: -1382.815
where: short stacking energy: -568.729
Base-Backbone interact. energy: -0.981
local terms energy: -580.995494
where:
bonds (distance) C4'-P energy: -108.080
bonds (distance) P-C4' energy: -103.238
flat angles C4'-P-C4' energy: -121.071
flat angles P-C4'-P energy: -82.689
tors. eta vs tors. theta energy: -165.918
Dist. restrs. and SS energy: 24.499 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -2802.711709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2802.711709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2808.209979 (E_RNA)
where:
Base-Base interactions energy: -1974.087
where: short stacking energy: -830.375
Base-Backbone interact. energy: -1.604
local terms energy: -832.518252
where:
bonds (distance) C4'-P energy: -139.229
bonds (distance) P-C4' energy: -151.822
flat angles C4'-P-C4' energy: -170.734
flat angles P-C4'-P energy: -122.209
tors. eta vs tors. theta energy: -248.523
Dist. restrs. and SS energy: 5.498 (S_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: 274
Temperature: 0.950000
Total energy: -2673.169456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2673.169456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2676.551954 (E_RNA)
where:
Base-Base interactions energy: -1879.146
where: short stacking energy: -790.982
Base-Backbone interact. energy: -2.547
local terms energy: -794.859113
where:
bonds (distance) C4'-P energy: -142.355
bonds (distance) P-C4' energy: -136.482
flat angles C4'-P-C4' energy: -166.241
flat angles P-C4'-P energy: -106.594
tors. eta vs tors. theta energy: -243.187
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: 5
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -2623.343476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2623.343476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2627.236761 (E_RNA)
where:
Base-Base interactions energy: -1851.372
where: short stacking energy: -773.323
Base-Backbone interact. energy: -2.613
local terms energy: -773.252004
where:
bonds (distance) C4'-P energy: -121.141
bonds (distance) P-C4' energy: -131.231
flat angles C4'-P-C4' energy: -174.094
flat angles P-C4'-P energy: -120.521
tors. eta vs tors. theta energy: -226.265
Dist. restrs. and SS energy: 3.893 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -2511.057707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2511.057707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2514.832985 (E_RNA)
where:
Base-Base interactions energy: -1771.895
where: short stacking energy: -737.464
Base-Backbone interact. energy: -1.087
local terms energy: -741.850951
where:
bonds (distance) C4'-P energy: -123.509
bonds (distance) P-C4' energy: -129.795
flat angles C4'-P-C4' energy: -154.336
flat angles P-C4'-P energy: -108.148
tors. eta vs tors. theta energy: -226.063
Dist. restrs. and SS energy: 3.775 (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: 3
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -2442.381316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2442.381316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2448.803005 (E_RNA)
where:
Base-Base interactions energy: -1738.495
where: short stacking energy: -727.871
Base-Backbone interact. energy: -2.020
local terms energy: -708.287958
where:
bonds (distance) C4'-P energy: -132.939
bonds (distance) P-C4' energy: -131.877
flat angles C4'-P-C4' energy: -142.310
flat angles P-C4'-P energy: -89.110
tors. eta vs tors. theta energy: -212.052
Dist. restrs. and SS energy: 6.422 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -2240.607993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2240.607993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2250.232492 (E_RNA)
where:
Base-Base interactions energy: -1579.999
where: short stacking energy: -649.904
Base-Backbone interact. energy: 1.665
local terms energy: -671.898604
where:
bonds (distance) C4'-P energy: -128.894
bonds (distance) P-C4' energy: -125.642
flat angles C4'-P-C4' energy: -138.633
flat angles P-C4'-P energy: -99.122
tors. eta vs tors. theta energy: -179.607
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: 9
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -2245.456356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2245.456356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2253.345858 (E_RNA)
where:
Base-Base interactions energy: -1589.105
where: short stacking energy: -666.090
Base-Backbone interact. energy: -3.400
local terms energy: -660.840303
where:
bonds (distance) C4'-P energy: -122.667
bonds (distance) P-C4' energy: -109.828
flat angles C4'-P-C4' energy: -150.312
flat angles P-C4'-P energy: -82.358
tors. eta vs tors. theta energy: -195.676
Dist. restrs. and SS energy: 7.890 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -2146.098068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2146.098068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2159.756058 (E_RNA)
where:
Base-Base interactions energy: -1533.977
where: short stacking energy: -640.625
Base-Backbone interact. energy: -2.239
local terms energy: -623.540183
where:
bonds (distance) C4'-P energy: -88.182
bonds (distance) P-C4' energy: -119.493
flat angles C4'-P-C4' energy: -142.276
flat angles P-C4'-P energy: -87.423
tors. eta vs tors. theta energy: -186.166
Dist. restrs. and SS energy: 13.658 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -2079.049954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2079.049954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.653820 (E_RNA)
where:
Base-Base interactions energy: -1460.589
where: short stacking energy: -601.167
Base-Backbone interact. energy: -2.648
local terms energy: -625.416417
where:
bonds (distance) C4'-P energy: -101.195
bonds (distance) P-C4' energy: -117.532
flat angles C4'-P-C4' energy: -139.564
flat angles P-C4'-P energy: -92.055
tors. eta vs tors. theta energy: -175.070
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: 10, replica: 6
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -1988.472762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1988.472762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2010.661870 (E_RNA)
where:
Base-Base interactions energy: -1405.246
where: short stacking energy: -575.852
Base-Backbone interact. energy: 0.617
local terms energy: -606.033271
where:
bonds (distance) C4'-P energy: -126.565
bonds (distance) P-C4' energy: -108.115
flat angles C4'-P-C4' energy: -134.181
flat angles P-C4'-P energy: -77.206
tors. eta vs tors. theta energy: -159.967
Dist. restrs. and SS energy: 22.189 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -2813.510753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2813.510753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2817.071942 (E_RNA)
where:
Base-Base interactions energy: -1970.572
where: short stacking energy: -821.443
Base-Backbone interact. energy: 0.529
local terms energy: -847.029031
where:
bonds (distance) C4'-P energy: -148.033
bonds (distance) P-C4' energy: -152.391
flat angles C4'-P-C4' energy: -174.365
flat angles P-C4'-P energy: -133.667
tors. eta vs tors. theta energy: -238.573
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: 2, replica: 8
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -2686.931527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2686.931527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2691.345435 (E_RNA)
where:
Base-Base interactions energy: -1866.273
where: short stacking energy: -795.364
Base-Backbone interact. energy: -0.171
local terms energy: -824.901970
where:
bonds (distance) C4'-P energy: -141.671
bonds (distance) P-C4' energy: -142.956
flat angles C4'-P-C4' energy: -174.079
flat angles P-C4'-P energy: -123.903
tors. eta vs tors. theta energy: -242.293
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: 3, replica: 5
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -2617.254046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2617.254046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2621.059658 (E_RNA)
where:
Base-Base interactions energy: -1810.757
where: short stacking energy: -758.392
Base-Backbone interact. energy: -2.651
local terms energy: -807.651160
where:
bonds (distance) C4'-P energy: -139.608
bonds (distance) P-C4' energy: -150.310
flat angles C4'-P-C4' energy: -173.424
flat angles P-C4'-P energy: -111.915
tors. eta vs tors. theta energy: -232.393
Dist. restrs. and SS energy: 3.806 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -2498.181390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2498.181390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2504.550013 (E_RNA)
where:
Base-Base interactions energy: -1761.760
where: short stacking energy: -753.276
Base-Backbone interact. energy: -2.106
local terms energy: -740.684550
where:
bonds (distance) C4'-P energy: -133.512
bonds (distance) P-C4' energy: -133.787
flat angles C4'-P-C4' energy: -156.966
flat angles P-C4'-P energy: -101.106
tors. eta vs tors. theta energy: -215.313
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: 5, replica: 3
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -2422.886281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2422.886281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2434.841624 (E_RNA)
where:
Base-Base interactions energy: -1694.214
where: short stacking energy: -733.540
Base-Backbone interact. energy: 0.649
local terms energy: -741.276346
where:
bonds (distance) C4'-P energy: -124.061
bonds (distance) P-C4' energy: -144.741
flat angles C4'-P-C4' energy: -156.847
flat angles P-C4'-P energy: -105.566
tors. eta vs tors. theta energy: -210.061
Dist. restrs. and SS energy: 11.955 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -2301.709955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2301.709955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2313.549434 (E_RNA)
where:
Base-Base interactions energy: -1611.597
where: short stacking energy: -690.984
Base-Backbone interact. energy: -2.720
local terms energy: -699.231750
where:
bonds (distance) C4'-P energy: -111.672
bonds (distance) P-C4' energy: -130.403
flat angles C4'-P-C4' energy: -152.914
flat angles P-C4'-P energy: -99.065
tors. eta vs tors. theta energy: -205.178
Dist. restrs. and SS energy: 11.839 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -2211.782046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2211.782046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2221.738929 (E_RNA)
where:
Base-Base interactions energy: -1570.731
where: short stacking energy: -673.323
Base-Backbone interact. energy: 2.984
local terms energy: -653.991917
where:
bonds (distance) C4'-P energy: -102.806
bonds (distance) P-C4' energy: -136.224
flat angles C4'-P-C4' energy: -138.647
flat angles P-C4'-P energy: -79.194
tors. eta vs tors. theta energy: -197.121
Dist. restrs. and SS energy: 9.957 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -2155.708425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2155.708425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2176.929492 (E_RNA)
where:
Base-Base interactions energy: -1528.166
where: short stacking energy: -600.591
Base-Backbone interact. energy: 1.103
local terms energy: -649.865953
where:
bonds (distance) C4'-P energy: -116.970
bonds (distance) P-C4' energy: -128.213
flat angles C4'-P-C4' energy: -144.164
flat angles P-C4'-P energy: -86.005
tors. eta vs tors. theta energy: -174.514
Dist. restrs. and SS energy: 21.221 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -2137.217006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2137.217006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2150.144771 (E_RNA)
where:
Base-Base interactions energy: -1553.572
where: short stacking energy: -650.147
Base-Backbone interact. energy: -3.588
local terms energy: -592.984247
where:
bonds (distance) C4'-P energy: -98.985
bonds (distance) P-C4' energy: -103.409
flat angles C4'-P-C4' energy: -140.512
flat angles P-C4'-P energy: -73.077
tors. eta vs tors. theta energy: -177.002
Dist. restrs. and SS energy: 12.928 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -1960.770598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.770598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1988.219873 (E_RNA)
where:
Base-Base interactions energy: -1405.085
where: short stacking energy: -574.176
Base-Backbone interact. energy: 2.164
local terms energy: -585.298766
where:
bonds (distance) C4'-P energy: -103.890
bonds (distance) P-C4' energy: -120.483
flat angles C4'-P-C4' energy: -114.324
flat angles P-C4'-P energy: -87.601
tors. eta vs tors. theta energy: -159.001
Dist. restrs. and SS energy: 27.449 (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: 2
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -2809.217500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2809.217500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2812.242381 (E_RNA)
where:
Base-Base interactions energy: -1995.483
where: short stacking energy: -802.987
Base-Backbone interact. energy: -1.744
local terms energy: -815.015140
where:
bonds (distance) C4'-P energy: -134.420
bonds (distance) P-C4' energy: -153.067
flat angles C4'-P-C4' energy: -166.707
flat angles P-C4'-P energy: -115.554
tors. eta vs tors. theta energy: -245.268
Dist. restrs. and SS energy: 3.025 (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: 8
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -2693.244509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2693.244509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2697.466071 (E_RNA)
where:
Base-Base interactions energy: -1893.748
where: short stacking energy: -811.866
Base-Backbone interact. energy: 4.280
local terms energy: -807.998431
where:
bonds (distance) C4'-P energy: -140.237
bonds (distance) P-C4' energy: -145.999
flat angles C4'-P-C4' energy: -163.062
flat angles P-C4'-P energy: -115.544
tors. eta vs tors. theta energy: -243.157
Dist. restrs. and SS energy: 4.222 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -2596.255435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2596.255435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2601.984357 (E_RNA)
where:
Base-Base interactions energy: -1830.429
where: short stacking energy: -773.380
Base-Backbone interact. energy: -2.582
local terms energy: -768.973293
where:
bonds (distance) C4'-P energy: -120.696
bonds (distance) P-C4' energy: -134.214
flat angles C4'-P-C4' energy: -178.846
flat angles P-C4'-P energy: -110.319
tors. eta vs tors. theta energy: -224.899
Dist. restrs. and SS energy: 5.729 (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: 10
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -2490.538215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2490.538215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2496.470980 (E_RNA)
where:
Base-Base interactions energy: -1741.512
where: short stacking energy: -743.739
Base-Backbone interact. energy: -1.295
local terms energy: -753.663262
where:
bonds (distance) C4'-P energy: -131.748
bonds (distance) P-C4' energy: -138.509
flat angles C4'-P-C4' energy: -150.332
flat angles P-C4'-P energy: -112.061
tors. eta vs tors. theta energy: -221.013
Dist. restrs. and SS energy: 5.933 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -2405.549006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2405.549006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2412.901664 (E_RNA)
where:
Base-Base interactions energy: -1675.320
where: short stacking energy: -715.008
Base-Backbone interact. energy: 0.187
local terms energy: -737.768138
where:
bonds (distance) C4'-P energy: -128.027
bonds (distance) P-C4' energy: -136.174
flat angles C4'-P-C4' energy: -162.647
flat angles P-C4'-P energy: -94.933
tors. eta vs tors. theta energy: -215.986
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: 6, replica: 9
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -2276.089664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2276.089664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2284.555710 (E_RNA)
where:
Base-Base interactions energy: -1579.369
where: short stacking energy: -663.439
Base-Backbone interact. energy: -0.501
local terms energy: -704.685708
where:
bonds (distance) C4'-P energy: -127.584
bonds (distance) P-C4' energy: -130.200
flat angles C4'-P-C4' energy: -154.928
flat angles P-C4'-P energy: -94.353
tors. eta vs tors. theta energy: -197.621
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: 7, replica: 7
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -2230.233375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2230.233375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2244.150880 (E_RNA)
where:
Base-Base interactions energy: -1568.277
where: short stacking energy: -641.625
Base-Backbone interact. energy: -2.094
local terms energy: -673.779811
where:
bonds (distance) C4'-P energy: -121.299
bonds (distance) P-C4' energy: -135.717
flat angles C4'-P-C4' energy: -142.707
flat angles P-C4'-P energy: -99.389
tors. eta vs tors. theta energy: -174.668
Dist. restrs. and SS energy: 13.918 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -2168.208247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2168.208247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2184.680935 (E_RNA)
where:
Base-Base interactions energy: -1528.143
where: short stacking energy: -659.834
Base-Backbone interact. energy: -1.091
local terms energy: -655.447454
where:
bonds (distance) C4'-P energy: -112.707
bonds (distance) P-C4' energy: -123.646
flat angles C4'-P-C4' energy: -142.928
flat angles P-C4'-P energy: -86.250
tors. eta vs tors. theta energy: -189.916
Dist. restrs. and SS energy: 16.473 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -2105.591158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2105.591158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2123.072092 (E_RNA)
where:
Base-Base interactions energy: -1509.657
where: short stacking energy: -627.690
Base-Backbone interact. energy: 0.766
local terms energy: -614.181698
where:
bonds (distance) C4'-P energy: -81.563
bonds (distance) P-C4' energy: -128.065
flat angles C4'-P-C4' energy: -140.794
flat angles P-C4'-P energy: -91.017
tors. eta vs tors. theta energy: -172.743
Dist. restrs. and SS energy: 17.481 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -2001.177808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2001.177808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2018.563143 (E_RNA)
where:
Base-Base interactions energy: -1419.518
where: short stacking energy: -576.457
Base-Backbone interact. energy: -1.834
local terms energy: -597.210862
where:
bonds (distance) C4'-P energy: -112.165
bonds (distance) P-C4' energy: -127.680
flat angles C4'-P-C4' energy: -115.670
flat angles P-C4'-P energy: -90.053
tors. eta vs tors. theta energy: -151.643
Dist. restrs. and SS energy: 17.385 (S_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: 277
Temperature: 0.900000
Total energy: -2816.847770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2816.847770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2820.927734 (E_RNA)
where:
Base-Base interactions energy: -1983.896
where: short stacking energy: -829.167
Base-Backbone interact. energy: -2.325
local terms energy: -834.706414
where:
bonds (distance) C4'-P energy: -145.878
bonds (distance) P-C4' energy: -156.415
flat angles C4'-P-C4' energy: -166.506
flat angles P-C4'-P energy: -121.234
tors. eta vs tors. theta energy: -244.672
Dist. restrs. and SS energy: 4.080 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -2687.577045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2687.577045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2691.993341 (E_RNA)
where:
Base-Base interactions energy: -1887.623
where: short stacking energy: -767.554
Base-Backbone interact. energy: -2.225
local terms energy: -802.145221
where:
bonds (distance) C4'-P energy: -143.339
bonds (distance) P-C4' energy: -146.541
flat angles C4'-P-C4' energy: -157.957
flat angles P-C4'-P energy: -119.374
tors. eta vs tors. theta energy: -234.935
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: 3, replica: 5
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -2612.747079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2612.747079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2615.622667 (E_RNA)
where:
Base-Base interactions energy: -1808.624
where: short stacking energy: -771.444
Base-Backbone interact. energy: -6.307
local terms energy: -800.691182
where:
bonds (distance) C4'-P energy: -148.491
bonds (distance) P-C4' energy: -133.903
flat angles C4'-P-C4' energy: -169.060
flat angles P-C4'-P energy: -114.695
tors. eta vs tors. theta energy: -234.543
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: 4, replica: 3
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -2519.684497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2519.684497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2525.266895 (E_RNA)
where:
Base-Base interactions energy: -1777.919
where: short stacking energy: -746.442
Base-Backbone interact. energy: -1.349
local terms energy: -745.998196
where:
bonds (distance) C4'-P energy: -139.583
bonds (distance) P-C4' energy: -137.179
flat angles C4'-P-C4' energy: -149.136
flat angles P-C4'-P energy: -103.668
tors. eta vs tors. theta energy: -216.433
Dist. restrs. and SS energy: 5.582 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -2454.335166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2454.335166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2462.271175 (E_RNA)
where:
Base-Base interactions energy: -1760.894
where: short stacking energy: -731.591
Base-Backbone interact. energy: -3.104
local terms energy: -698.273216
where:
bonds (distance) C4'-P energy: -117.156
bonds (distance) P-C4' energy: -129.915
flat angles C4'-P-C4' energy: -159.452
flat angles P-C4'-P energy: -81.908
tors. eta vs tors. theta energy: -209.842
Dist. restrs. and SS energy: 7.936 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -2310.226704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2310.226704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2319.756960 (E_RNA)
where:
Base-Base interactions energy: -1629.925
where: short stacking energy: -670.020
Base-Backbone interact. energy: -1.784
local terms energy: -688.047638
where:
bonds (distance) C4'-P energy: -115.010
bonds (distance) P-C4' energy: -137.379
flat angles C4'-P-C4' energy: -146.144
flat angles P-C4'-P energy: -92.444
tors. eta vs tors. theta energy: -197.071
Dist. restrs. and SS energy: 9.530 (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: 9
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -2232.075484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2232.075484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2241.332991 (E_RNA)
where:
Base-Base interactions energy: -1588.274
where: short stacking energy: -679.785
Base-Backbone interact. energy: -2.481
local terms energy: -650.578279
where:
bonds (distance) C4'-P energy: -104.755
bonds (distance) P-C4' energy: -98.089
flat angles C4'-P-C4' energy: -147.667
flat angles P-C4'-P energy: -95.143
tors. eta vs tors. theta energy: -204.924
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: 8, replica: 1
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -2133.158239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2133.158239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2147.836580 (E_RNA)
where:
Base-Base interactions energy: -1509.726
where: short stacking energy: -649.515
Base-Backbone interact. energy: 9.104
local terms energy: -647.214084
where:
bonds (distance) C4'-P energy: -110.305
bonds (distance) P-C4' energy: -129.886
flat angles C4'-P-C4' energy: -145.594
flat angles P-C4'-P energy: -72.952
tors. eta vs tors. theta energy: -188.478
Dist. restrs. and SS energy: 14.678 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -2095.059738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.059738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2115.360506 (E_RNA)
where:
Base-Base interactions energy: -1459.155
where: short stacking energy: -623.446
Base-Backbone interact. energy: 2.464
local terms energy: -658.669081
where:
bonds (distance) C4'-P energy: -122.044
bonds (distance) P-C4' energy: -120.018
flat angles C4'-P-C4' energy: -145.282
flat angles P-C4'-P energy: -98.904
tors. eta vs tors. theta energy: -172.422
Dist. restrs. and SS energy: 20.301 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -2000.562242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.562242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2014.320491 (E_RNA)
where:
Base-Base interactions energy: -1433.730
where: short stacking energy: -610.645
Base-Backbone interact. energy: -4.988
local terms energy: -575.602448
where:
bonds (distance) C4'-P energy: -100.536
bonds (distance) P-C4' energy: -97.148
flat angles C4'-P-C4' energy: -132.239
flat angles P-C4'-P energy: -77.959
tors. eta vs tors. theta energy: -167.721
Dist. restrs. and SS energy: 13.758 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -2792.875599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2792.875599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2796.754429 (E_RNA)
where:
Base-Base interactions energy: -1948.870
where: short stacking energy: -833.088
Base-Backbone interact. energy: 0.045
local terms energy: -847.929782
where:
bonds (distance) C4'-P energy: -141.520
bonds (distance) P-C4' energy: -155.551
flat angles C4'-P-C4' energy: -173.473
flat angles P-C4'-P energy: -128.521
tors. eta vs tors. theta energy: -248.865
Dist. restrs. and SS energy: 3.879 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -2676.678570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2676.678570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2680.230251 (E_RNA)
where:
Base-Base interactions energy: -1884.362
where: short stacking energy: -798.515
Base-Backbone interact. energy: -2.780
local terms energy: -793.088427
where:
bonds (distance) C4'-P energy: -123.236
bonds (distance) P-C4' energy: -148.250
flat angles C4'-P-C4' energy: -172.950
flat angles P-C4'-P energy: -116.273
tors. eta vs tors. theta energy: -232.380
Dist. restrs. and SS energy: 3.552 (S_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: 278
Temperature: 1.000000
Total energy: -2648.624227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2648.624227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2651.960353 (E_RNA)
where:
Base-Base interactions energy: -1865.185
where: short stacking energy: -780.965
Base-Backbone interact. energy: -0.565
local terms energy: -786.210344
where:
bonds (distance) C4'-P energy: -132.447
bonds (distance) P-C4' energy: -128.880
flat angles C4'-P-C4' energy: -176.242
flat angles P-C4'-P energy: -115.026
tors. eta vs tors. theta energy: -233.616
Dist. restrs. and SS energy: 3.336 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -2468.167292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2468.167292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2476.745954 (E_RNA)
where:
Base-Base interactions energy: -1741.892
where: short stacking energy: -727.154
Base-Backbone interact. energy: -2.331
local terms energy: -732.523509
where:
bonds (distance) C4'-P energy: -129.390
bonds (distance) P-C4' energy: -129.488
flat angles C4'-P-C4' energy: -159.866
flat angles P-C4'-P energy: -99.412
tors. eta vs tors. theta energy: -214.368
Dist. restrs. and SS energy: 8.579 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -2434.704450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2434.704450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2442.856297 (E_RNA)
where:
Base-Base interactions energy: -1693.275
where: short stacking energy: -736.139
Base-Backbone interact. energy: 3.569
local terms energy: -753.150512
where:
bonds (distance) C4'-P energy: -138.196
bonds (distance) P-C4' energy: -124.362
flat angles C4'-P-C4' energy: -168.603
flat angles P-C4'-P energy: -106.066
tors. eta vs tors. theta energy: -215.924
Dist. restrs. and SS energy: 8.152 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -2281.743716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2281.743716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2289.923400 (E_RNA)
where:
Base-Base interactions energy: -1639.075
where: short stacking energy: -666.877
Base-Backbone interact. energy: 10.340
local terms energy: -661.188859
where:
bonds (distance) C4'-P energy: -134.386
bonds (distance) P-C4' energy: -118.180
flat angles C4'-P-C4' energy: -140.338
flat angles P-C4'-P energy: -81.954
tors. eta vs tors. theta energy: -186.331
Dist. restrs. and SS energy: 8.180 (S_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: 278
Temperature: 1.200000
Total energy: -2243.755239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2243.755239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2263.266778 (E_RNA)
where:
Base-Base interactions energy: -1602.260
where: short stacking energy: -665.087
Base-Backbone interact. energy: 3.971
local terms energy: -664.977232
where:
bonds (distance) C4'-P energy: -129.322
bonds (distance) P-C4' energy: -109.617
flat angles C4'-P-C4' energy: -145.454
flat angles P-C4'-P energy: -83.419
tors. eta vs tors. theta energy: -197.166
Dist. restrs. and SS energy: 19.512 (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: 1
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -2046.493693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2046.493693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2066.356657 (E_RNA)
where:
Base-Base interactions energy: -1447.849
where: short stacking energy: -607.029
Base-Backbone interact. energy: -0.688
local terms energy: -617.819898
where:
bonds (distance) C4'-P energy: -114.343
bonds (distance) P-C4' energy: -123.824
flat angles C4'-P-C4' energy: -130.532
flat angles P-C4'-P energy: -79.476
tors. eta vs tors. theta energy: -169.645
Dist. restrs. and SS energy: 19.863 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -2032.685688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2032.685688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2050.449555 (E_RNA)
where:
Base-Base interactions energy: -1444.565
where: short stacking energy: -612.463
Base-Backbone interact. energy: -2.057
local terms energy: -603.827639
where:
bonds (distance) C4'-P energy: -96.495
bonds (distance) P-C4' energy: -112.725
flat angles C4'-P-C4' energy: -142.014
flat angles P-C4'-P energy: -80.240
tors. eta vs tors. theta energy: -172.354
Dist. restrs. and SS energy: 17.764 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -1998.993524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1998.993524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2020.542872 (E_RNA)
where:
Base-Base interactions energy: -1412.463
where: short stacking energy: -578.316
Base-Backbone interact. energy: 1.716
local terms energy: -609.795381
where:
bonds (distance) C4'-P energy: -111.012
bonds (distance) P-C4' energy: -113.538
flat angles C4'-P-C4' energy: -128.431
flat angles P-C4'-P energy: -92.712
tors. eta vs tors. theta energy: -164.102
Dist. restrs. and SS energy: 21.549 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -2747.818080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2747.818080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2752.814375 (E_RNA)
where:
Base-Base interactions energy: -1928.016
where: short stacking energy: -832.997
Base-Backbone interact. energy: 1.655
local terms energy: -826.453542
where:
bonds (distance) C4'-P energy: -149.361
bonds (distance) P-C4' energy: -144.654
flat angles C4'-P-C4' energy: -160.527
flat angles P-C4'-P energy: -123.550
tors. eta vs tors. theta energy: -248.362
Dist. restrs. and SS energy: 4.996 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -2698.008659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2698.008659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2701.758850 (E_RNA)
where:
Base-Base interactions energy: -1896.549
where: short stacking energy: -781.689
Base-Backbone interact. energy: -3.548
local terms energy: -801.661773
where:
bonds (distance) C4'-P energy: -145.284
bonds (distance) P-C4' energy: -139.158
flat angles C4'-P-C4' energy: -174.009
flat angles P-C4'-P energy: -109.660
tors. eta vs tors. theta energy: -233.550
Dist. restrs. and SS energy: 3.750 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -2640.627610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2640.627610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2644.243125 (E_RNA)
where:
Base-Base interactions energy: -1864.911
where: short stacking energy: -771.374
Base-Backbone interact. energy: 2.063
local terms energy: -781.394925
where:
bonds (distance) C4'-P energy: -127.085
bonds (distance) P-C4' energy: -134.726
flat angles C4'-P-C4' energy: -172.131
flat angles P-C4'-P energy: -121.709
tors. eta vs tors. theta energy: -225.744
Dist. restrs. and SS energy: 3.616 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -2504.268894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2504.268894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2512.122300 (E_RNA)
where:
Base-Base interactions energy: -1757.739
where: short stacking energy: -786.180
Base-Backbone interact. energy: -3.225
local terms energy: -751.157621
where:
bonds (distance) C4'-P energy: -122.754
bonds (distance) P-C4' energy: -147.228
flat angles C4'-P-C4' energy: -156.236
flat angles P-C4'-P energy: -101.558
tors. eta vs tors. theta energy: -223.381
Dist. restrs. and SS energy: 7.853 (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: 10
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -2448.202894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2448.202894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2453.882730 (E_RNA)
where:
Base-Base interactions energy: -1730.880
where: short stacking energy: -758.599
Base-Backbone interact. energy: 0.604
local terms energy: -723.606841
where:
bonds (distance) C4'-P energy: -125.314
bonds (distance) P-C4' energy: -129.535
flat angles C4'-P-C4' energy: -148.156
flat angles P-C4'-P energy: -101.057
tors. eta vs tors. theta energy: -219.544
Dist. restrs. and SS energy: 5.680 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -2323.782986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2323.782986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2337.822353 (E_RNA)
where:
Base-Base interactions energy: -1622.691
where: short stacking energy: -676.102
Base-Backbone interact. energy: -4.036
local terms energy: -711.094426
where:
bonds (distance) C4'-P energy: -130.198
bonds (distance) P-C4' energy: -120.454
flat angles C4'-P-C4' energy: -147.043
flat angles P-C4'-P energy: -110.178
tors. eta vs tors. theta energy: -203.220
Dist. restrs. and SS energy: 14.039 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -2227.180185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2227.180185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2236.716526 (E_RNA)
where:
Base-Base interactions energy: -1590.039
where: short stacking energy: -657.607
Base-Backbone interact. energy: 0.012
local terms energy: -646.689259
where:
bonds (distance) C4'-P energy: -111.408
bonds (distance) P-C4' energy: -124.805
flat angles C4'-P-C4' energy: -132.166
flat angles P-C4'-P energy: -87.409
tors. eta vs tors. theta energy: -190.902
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: 8, replica: 6
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -2103.477705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2103.477705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2114.057728 (E_RNA)
where:
Base-Base interactions energy: -1492.656
where: short stacking energy: -607.032
Base-Backbone interact. energy: -2.652
local terms energy: -618.750372
where:
bonds (distance) C4'-P energy: -113.336
bonds (distance) P-C4' energy: -126.920
flat angles C4'-P-C4' energy: -138.247
flat angles P-C4'-P energy: -73.683
tors. eta vs tors. theta energy: -166.564
Dist. restrs. and SS energy: 10.580 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -2044.396903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2044.396903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2061.673790 (E_RNA)
where:
Base-Base interactions energy: -1447.220
where: short stacking energy: -590.666
Base-Backbone interact. energy: -4.324
local terms energy: -610.130482
where:
bonds (distance) C4'-P energy: -117.651
bonds (distance) P-C4' energy: -110.942
flat angles C4'-P-C4' energy: -134.054
flat angles P-C4'-P energy: -72.624
tors. eta vs tors. theta energy: -174.860
Dist. restrs. and SS energy: 17.277 (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: 4
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -2002.314927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2002.314927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2029.051723 (E_RNA)
where:
Base-Base interactions energy: -1385.991
where: short stacking energy: -565.510
Base-Backbone interact. energy: -3.314
local terms energy: -639.746712
where:
bonds (distance) C4'-P energy: -129.502
bonds (distance) P-C4' energy: -117.710
flat angles C4'-P-C4' energy: -137.943
flat angles P-C4'-P energy: -84.123
tors. eta vs tors. theta energy: -170.468
Dist. restrs. and SS energy: 26.737 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -2782.403932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2782.403932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2789.674443 (E_RNA)
where:
Base-Base interactions energy: -1966.483
where: short stacking energy: -855.963
Base-Backbone interact. energy: -1.609
local terms energy: -821.582898
where:
bonds (distance) C4'-P energy: -141.930
bonds (distance) P-C4' energy: -138.208
flat angles C4'-P-C4' energy: -182.203
flat angles P-C4'-P energy: -111.691
tors. eta vs tors. theta energy: -247.551
Dist. restrs. and SS energy: 7.271 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -2704.320504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2704.320504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2708.441563 (E_RNA)
where:
Base-Base interactions energy: -1897.838
where: short stacking energy: -806.531
Base-Backbone interact. energy: -1.364
local terms energy: -809.239038
where:
bonds (distance) C4'-P energy: -138.437
bonds (distance) P-C4' energy: -150.249
flat angles C4'-P-C4' energy: -164.307
flat angles P-C4'-P energy: -118.948
tors. eta vs tors. theta energy: -237.298
Dist. restrs. and SS energy: 4.121 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -2632.482558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2632.482558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2636.730627 (E_RNA)
where:
Base-Base interactions energy: -1854.228
where: short stacking energy: -781.655
Base-Backbone interact. energy: -2.724
local terms energy: -779.778740
where:
bonds (distance) C4'-P energy: -136.491
bonds (distance) P-C4' energy: -142.559
flat angles C4'-P-C4' energy: -159.628
flat angles P-C4'-P energy: -105.263
tors. eta vs tors. theta energy: -235.838
Dist. restrs. and SS energy: 4.248 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -2513.519123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2513.519123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2519.582813 (E_RNA)
where:
Base-Base interactions energy: -1760.012
where: short stacking energy: -742.005
Base-Backbone interact. energy: 0.332
local terms energy: -759.902470
where:
bonds (distance) C4'-P energy: -139.527
bonds (distance) P-C4' energy: -129.367
flat angles C4'-P-C4' energy: -152.127
flat angles P-C4'-P energy: -116.316
tors. eta vs tors. theta energy: -222.565
Dist. restrs. and SS energy: 6.064 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -2435.295022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2435.295022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2441.428864 (E_RNA)
where:
Base-Base interactions energy: -1714.784
where: short stacking energy: -707.317
Base-Backbone interact. energy: -3.193
local terms energy: -723.451468
where:
bonds (distance) C4'-P energy: -130.150
bonds (distance) P-C4' energy: -120.923
flat angles C4'-P-C4' energy: -169.933
flat angles P-C4'-P energy: -86.749
tors. eta vs tors. theta energy: -215.696
Dist. restrs. and SS energy: 6.134 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -2348.145101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2348.145101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2359.042343 (E_RNA)
where:
Base-Base interactions energy: -1647.357
where: short stacking energy: -663.915
Base-Backbone interact. energy: -3.191
local terms energy: -708.494562
where:
bonds (distance) C4'-P energy: -133.223
bonds (distance) P-C4' energy: -138.758
flat angles C4'-P-C4' energy: -138.126
flat angles P-C4'-P energy: -97.498
tors. eta vs tors. theta energy: -200.890
Dist. restrs. and SS energy: 10.897 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -2251.914999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2251.914999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2261.145174 (E_RNA)
where:
Base-Base interactions energy: -1575.105
where: short stacking energy: -635.969
Base-Backbone interact. energy: -2.096
local terms energy: -683.944351
where:
bonds (distance) C4'-P energy: -114.216
bonds (distance) P-C4' energy: -128.643
flat angles C4'-P-C4' energy: -159.660
flat angles P-C4'-P energy: -93.133
tors. eta vs tors. theta energy: -188.292
Dist. restrs. and SS energy: 9.230 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -2112.114903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2112.114903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2125.334361 (E_RNA)
where:
Base-Base interactions energy: -1496.839
where: short stacking energy: -635.255
Base-Backbone interact. energy: -2.539
local terms energy: -625.955611
where:
bonds (distance) C4'-P energy: -107.573
bonds (distance) P-C4' energy: -107.362
flat angles C4'-P-C4' energy: -141.913
flat angles P-C4'-P energy: -86.761
tors. eta vs tors. theta energy: -182.348
Dist. restrs. and SS energy: 13.219 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -2068.589325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2068.589325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2084.088058 (E_RNA)
where:
Base-Base interactions energy: -1436.419
where: short stacking energy: -577.388
Base-Backbone interact. energy: -3.653
local terms energy: -644.016522
where:
bonds (distance) C4'-P energy: -128.154
bonds (distance) P-C4' energy: -126.954
flat angles C4'-P-C4' energy: -124.845
flat angles P-C4'-P energy: -91.665
tors. eta vs tors. theta energy: -172.398
Dist. restrs. and SS energy: 15.499 (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: 1
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -2002.988178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2002.988178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.615375 (E_RNA)
where:
Base-Base interactions energy: -1393.950
where: short stacking energy: -578.423
Base-Backbone interact. energy: 0.662
local terms energy: -632.326755
where:
bonds (distance) C4'-P energy: -109.734
bonds (distance) P-C4' energy: -115.637
flat angles C4'-P-C4' energy: -134.746
flat angles P-C4'-P energy: -99.033
tors. eta vs tors. theta energy: -173.177
Dist. restrs. and SS energy: 22.627 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -2780.306242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2780.306242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2783.672042 (E_RNA)
where:
Base-Base interactions energy: -1945.143
where: short stacking energy: -852.403
Base-Backbone interact. energy: -1.146
local terms energy: -837.382570
where:
bonds (distance) C4'-P energy: -144.611
bonds (distance) P-C4' energy: -151.112
flat angles C4'-P-C4' energy: -167.345
flat angles P-C4'-P energy: -123.661
tors. eta vs tors. theta energy: -250.654
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: 2, replica: 5
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -2680.943691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2680.943691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2685.576259 (E_RNA)
where:
Base-Base interactions energy: -1907.064
where: short stacking energy: -804.080
Base-Backbone interact. energy: -2.150
local terms energy: -776.362556
where:
bonds (distance) C4'-P energy: -129.807
bonds (distance) P-C4' energy: -133.829
flat angles C4'-P-C4' energy: -167.949
flat angles P-C4'-P energy: -108.284
tors. eta vs tors. theta energy: -236.492
Dist. restrs. and SS energy: 4.633 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -2636.991945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2636.991945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2640.118466 (E_RNA)
where:
Base-Base interactions energy: -1871.175
where: short stacking energy: -775.415
Base-Backbone interact. energy: -2.654
local terms energy: -766.289566
where:
bonds (distance) C4'-P energy: -128.287
bonds (distance) P-C4' energy: -138.536
flat angles C4'-P-C4' energy: -156.648
flat angles P-C4'-P energy: -112.645
tors. eta vs tors. theta energy: -230.174
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: 10
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -2527.989376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2527.989376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2536.333116 (E_RNA)
where:
Base-Base interactions energy: -1749.548
where: short stacking energy: -751.395
Base-Backbone interact. energy: -3.213
local terms energy: -783.571778
where:
bonds (distance) C4'-P energy: -134.674
bonds (distance) P-C4' energy: -145.301
flat angles C4'-P-C4' energy: -158.106
flat angles P-C4'-P energy: -120.173
tors. eta vs tors. theta energy: -225.318
Dist. restrs. and SS energy: 8.344 (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: 3
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -2444.933431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2444.933431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2452.054312 (E_RNA)
where:
Base-Base interactions energy: -1712.920
where: short stacking energy: -727.206
Base-Backbone interact. energy: -1.690
local terms energy: -737.444196
where:
bonds (distance) C4'-P energy: -131.389
bonds (distance) P-C4' energy: -138.076
flat angles C4'-P-C4' energy: -144.786
flat angles P-C4'-P energy: -110.839
tors. eta vs tors. theta energy: -212.354
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: 6, replica: 7
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -2326.715472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2326.715472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2338.327396 (E_RNA)
where:
Base-Base interactions energy: -1654.718
where: short stacking energy: -712.506
Base-Backbone interact. energy: -1.958
local terms energy: -681.651926
where:
bonds (distance) C4'-P energy: -114.631
bonds (distance) P-C4' energy: -120.142
flat angles C4'-P-C4' energy: -159.296
flat angles P-C4'-P energy: -92.575
tors. eta vs tors. theta energy: -195.009
Dist. restrs. and SS energy: 11.612 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -2241.260845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2241.260845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2255.394772 (E_RNA)
where:
Base-Base interactions energy: -1591.010
where: short stacking energy: -683.822
Base-Backbone interact. energy: -0.469
local terms energy: -663.915559
where:
bonds (distance) C4'-P energy: -106.673
bonds (distance) P-C4' energy: -113.624
flat angles C4'-P-C4' energy: -153.420
flat angles P-C4'-P energy: -93.606
tors. eta vs tors. theta energy: -196.592
Dist. restrs. and SS energy: 14.134 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -2142.995244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2142.995244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2158.582820 (E_RNA)
where:
Base-Base interactions energy: -1525.606
where: short stacking energy: -651.704
Base-Backbone interact. energy: 5.531
local terms energy: -638.507812
where:
bonds (distance) C4'-P energy: -113.781
bonds (distance) P-C4' energy: -108.265
flat angles C4'-P-C4' energy: -142.337
flat angles P-C4'-P energy: -82.708
tors. eta vs tors. theta energy: -191.416
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: 9, replica: 6
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -2114.618500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2114.618500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2119.998650 (E_RNA)
where:
Base-Base interactions energy: -1496.226
where: short stacking energy: -637.791
Base-Backbone interact. energy: 1.730
local terms energy: -625.502678
where:
bonds (distance) C4'-P energy: -110.275
bonds (distance) P-C4' energy: -97.365
flat angles C4'-P-C4' energy: -143.917
flat angles P-C4'-P energy: -83.734
tors. eta vs tors. theta energy: -190.212
Dist. restrs. and SS energy: 5.380 (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: 1
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -1971.288095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1971.288095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.144002 (E_RNA)
where:
Base-Base interactions energy: -1378.603
where: short stacking energy: -584.346
Base-Backbone interact. energy: 3.409
local terms energy: -615.949972
where:
bonds (distance) C4'-P energy: -115.094
bonds (distance) P-C4' energy: -111.757
flat angles C4'-P-C4' energy: -155.522
flat angles P-C4'-P energy: -64.777
tors. eta vs tors. theta energy: -168.799
Dist. restrs. and SS energy: 19.856 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -2756.413146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2756.413146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2759.875497 (E_RNA)
where:
Base-Base interactions energy: -1907.588
where: short stacking energy: -804.348
Base-Backbone interact. energy: -3.482
local terms energy: -848.805177
where:
bonds (distance) C4'-P energy: -149.772
bonds (distance) P-C4' energy: -164.772
flat angles C4'-P-C4' energy: -176.066
flat angles P-C4'-P energy: -118.225
tors. eta vs tors. theta energy: -239.970
Dist. restrs. and SS energy: 3.462 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -2697.697487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2697.697487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2701.595155 (E_RNA)
where:
Base-Base interactions energy: -1893.660
where: short stacking energy: -802.041
Base-Backbone interact. energy: -4.601
local terms energy: -803.334239
where:
bonds (distance) C4'-P energy: -137.896
bonds (distance) P-C4' energy: -146.934
flat angles C4'-P-C4' energy: -163.666
flat angles P-C4'-P energy: -125.382
tors. eta vs tors. theta energy: -229.456
Dist. restrs. and SS energy: 3.898 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -2643.988431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2643.988431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2647.078735 (E_RNA)
where:
Base-Base interactions energy: -1874.673
where: short stacking energy: -775.419
Base-Backbone interact. energy: -0.530
local terms energy: -771.876002
where:
bonds (distance) C4'-P energy: -152.803
bonds (distance) P-C4' energy: -126.607
flat angles C4'-P-C4' energy: -154.601
flat angles P-C4'-P energy: -100.478
tors. eta vs tors. theta energy: -237.386
Dist. restrs. and SS energy: 3.090 (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: 282
Temperature: 1.050000
Total energy: -2464.630400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2464.630400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2472.071928 (E_RNA)
where:
Base-Base interactions energy: -1722.287
where: short stacking energy: -728.105
Base-Backbone interact. energy: -1.236
local terms energy: -748.548477
where:
bonds (distance) C4'-P energy: -133.961
bonds (distance) P-C4' energy: -128.913
flat angles C4'-P-C4' energy: -161.366
flat angles P-C4'-P energy: -101.902
tors. eta vs tors. theta energy: -222.406
Dist. restrs. and SS energy: 7.442 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -2436.985777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2436.985777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2441.153746 (E_RNA)
where:
Base-Base interactions energy: -1718.070
where: short stacking energy: -701.883
Base-Backbone interact. energy: -2.015
local terms energy: -721.067930
where:
bonds (distance) C4'-P energy: -130.162
bonds (distance) P-C4' energy: -141.012
flat angles C4'-P-C4' energy: -146.734
flat angles P-C4'-P energy: -100.943
tors. eta vs tors. theta energy: -202.216
Dist. restrs. and SS energy: 4.168 (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: 7
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -2280.481896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2280.481896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2290.802865 (E_RNA)
where:
Base-Base interactions energy: -1607.988
where: short stacking energy: -678.696
Base-Backbone interact. energy: -3.302
local terms energy: -679.512925
where:
bonds (distance) C4'-P energy: -118.216
bonds (distance) P-C4' energy: -141.275
flat angles C4'-P-C4' energy: -148.300
flat angles P-C4'-P energy: -92.486
tors. eta vs tors. theta energy: -179.235
Dist. restrs. and SS energy: 10.321 (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: 9
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -2265.416645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2265.416645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2276.022647 (E_RNA)
where:
Base-Base interactions energy: -1567.345
where: short stacking energy: -655.744
Base-Backbone interact. energy: -1.236
local terms energy: -707.442036
where:
bonds (distance) C4'-P energy: -113.450
bonds (distance) P-C4' energy: -133.216
flat angles C4'-P-C4' energy: -156.611
flat angles P-C4'-P energy: -110.990
tors. eta vs tors. theta energy: -193.175
Dist. restrs. and SS energy: 10.606 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -2110.322407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2110.322407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2132.064281 (E_RNA)
where:
Base-Base interactions energy: -1494.044
where: short stacking energy: -619.759
Base-Backbone interact. energy: 4.688
local terms energy: -642.708990
where:
bonds (distance) C4'-P energy: -134.694
bonds (distance) P-C4' energy: -109.427
flat angles C4'-P-C4' energy: -127.287
flat angles P-C4'-P energy: -93.818
tors. eta vs tors. theta energy: -177.483
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: 9, replica: 6
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -2065.595759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2065.595759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2079.667600 (E_RNA)
where:
Base-Base interactions energy: -1481.120
where: short stacking energy: -600.684
Base-Backbone interact. energy: 2.973
local terms energy: -601.520228
where:
bonds (distance) C4'-P energy: -114.584
bonds (distance) P-C4' energy: -125.136
flat angles C4'-P-C4' energy: -104.928
flat angles P-C4'-P energy: -79.086
tors. eta vs tors. theta energy: -177.785
Dist. restrs. and SS energy: 14.072 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -1897.255741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.255741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1918.846517 (E_RNA)
where:
Base-Base interactions energy: -1332.552
where: short stacking energy: -544.407
Base-Backbone interact. energy: 2.180
local terms energy: -588.475198
where:
bonds (distance) C4'-P energy: -120.870
bonds (distance) P-C4' energy: -103.425
flat angles C4'-P-C4' energy: -130.053
flat angles P-C4'-P energy: -96.168
tors. eta vs tors. theta energy: -137.959
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: 2
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -2775.555863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2775.555863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2779.043470 (E_RNA)
where:
Base-Base interactions energy: -1942.685
where: short stacking energy: -835.444
Base-Backbone interact. energy: -3.226
local terms energy: -833.132423
where:
bonds (distance) C4'-P energy: -132.488
bonds (distance) P-C4' energy: -151.084
flat angles C4'-P-C4' energy: -175.472
flat angles P-C4'-P energy: -124.729
tors. eta vs tors. theta energy: -249.360
Dist. restrs. and SS energy: 3.488 (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: 5
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -2697.568217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2697.568217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2703.580918 (E_RNA)
where:
Base-Base interactions energy: -1891.748
where: short stacking energy: -808.587
Base-Backbone interact. energy: -1.608
local terms energy: -810.225091
where:
bonds (distance) C4'-P energy: -143.793
bonds (distance) P-C4' energy: -148.492
flat angles C4'-P-C4' energy: -168.506
flat angles P-C4'-P energy: -101.984
tors. eta vs tors. theta energy: -247.450
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: 3, replica: 8
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -2688.957698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2688.957698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2692.224462 (E_RNA)
where:
Base-Base interactions energy: -1910.850
where: short stacking energy: -788.841
Base-Backbone interact. energy: -3.137
local terms energy: -778.237676
where:
bonds (distance) C4'-P energy: -138.222
bonds (distance) P-C4' energy: -128.114
flat angles C4'-P-C4' energy: -159.159
flat angles P-C4'-P energy: -116.556
tors. eta vs tors. theta energy: -236.187
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: 3
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -2464.129036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2464.129036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2467.990595 (E_RNA)
where:
Base-Base interactions energy: -1748.426
where: short stacking energy: -704.174
Base-Backbone interact. energy: -3.843
local terms energy: -715.721727
where:
bonds (distance) C4'-P energy: -123.308
bonds (distance) P-C4' energy: -127.989
flat angles C4'-P-C4' energy: -147.370
flat angles P-C4'-P energy: -117.002
tors. eta vs tors. theta energy: -200.053
Dist. restrs. and SS energy: 3.862 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -2429.258975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2429.258975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2434.495816 (E_RNA)
where:
Base-Base interactions energy: -1709.469
where: short stacking energy: -738.220
Base-Backbone interact. energy: -0.398
local terms energy: -724.629242
where:
bonds (distance) C4'-P energy: -132.236
bonds (distance) P-C4' energy: -124.055
flat angles C4'-P-C4' energy: -151.676
flat angles P-C4'-P energy: -113.058
tors. eta vs tors. theta energy: -203.604
Dist. restrs. and SS energy: 5.237 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -2334.754630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2334.754630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2343.909020 (E_RNA)
where:
Base-Base interactions energy: -1647.790
where: short stacking energy: -694.326
Base-Backbone interact. energy: -0.680
local terms energy: -695.439397
where:
bonds (distance) C4'-P energy: -132.146
bonds (distance) P-C4' energy: -124.674
flat angles C4'-P-C4' energy: -147.378
flat angles P-C4'-P energy: -86.245
tors. eta vs tors. theta energy: -204.995
Dist. restrs. and SS energy: 9.154 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -2207.405252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2207.405252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2219.386487 (E_RNA)
where:
Base-Base interactions energy: -1525.906
where: short stacking energy: -642.986
Base-Backbone interact. energy: 0.620
local terms energy: -694.100976
where:
bonds (distance) C4'-P energy: -122.806
bonds (distance) P-C4' energy: -130.786
flat angles C4'-P-C4' energy: -151.159
flat angles P-C4'-P energy: -89.622
tors. eta vs tors. theta energy: -199.729
Dist. restrs. and SS energy: 11.981 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -2127.026114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2127.026114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2139.960033 (E_RNA)
where:
Base-Base interactions energy: -1491.947
where: short stacking energy: -617.645
Base-Backbone interact. energy: 0.239
local terms energy: -648.252749
where:
bonds (distance) C4'-P energy: -118.533
bonds (distance) P-C4' energy: -116.242
flat angles C4'-P-C4' energy: -134.168
flat angles P-C4'-P energy: -99.193
tors. eta vs tors. theta energy: -180.117
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: 283
Temperature: 1.300000
Total energy: -2057.696236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2057.696236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2075.782316 (E_RNA)
where:
Base-Base interactions energy: -1485.600
where: short stacking energy: -614.073
Base-Backbone interact. energy: -0.116
local terms energy: -590.066114
where:
bonds (distance) C4'-P energy: -88.940
bonds (distance) P-C4' energy: -117.757
flat angles C4'-P-C4' energy: -122.547
flat angles P-C4'-P energy: -88.691
tors. eta vs tors. theta energy: -172.131
Dist. restrs. and SS energy: 18.086 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -1934.740149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1934.740149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1954.964058 (E_RNA)
where:
Base-Base interactions energy: -1360.030
where: short stacking energy: -544.829
Base-Backbone interact. energy: -0.760
local terms energy: -594.173995
where:
bonds (distance) C4'-P energy: -129.668
bonds (distance) P-C4' energy: -109.921
flat angles C4'-P-C4' energy: -128.017
flat angles P-C4'-P energy: -71.327
tors. eta vs tors. theta energy: -155.241
Dist. restrs. and SS energy: 20.224 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -2781.618441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2781.618441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2784.629488 (E_RNA)
where:
Base-Base interactions energy: -1923.580
where: short stacking energy: -842.575
Base-Backbone interact. energy: -1.487
local terms energy: -859.562740
where:
bonds (distance) C4'-P energy: -142.266
bonds (distance) P-C4' energy: -148.807
flat angles C4'-P-C4' energy: -170.699
flat angles P-C4'-P energy: -130.456
tors. eta vs tors. theta energy: -267.336
Dist. restrs. and SS energy: 3.011 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -2688.852862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2688.852862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2693.331213 (E_RNA)
where:
Base-Base interactions energy: -1895.435
where: short stacking energy: -809.349
Base-Backbone interact. energy: 1.574
local terms energy: -799.470936
where:
bonds (distance) C4'-P energy: -156.936
bonds (distance) P-C4' energy: -139.380
flat angles C4'-P-C4' energy: -167.877
flat angles P-C4'-P energy: -100.414
tors. eta vs tors. theta energy: -234.864
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: 3, replica: 8
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -2633.439301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2633.439301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2637.612290 (E_RNA)
where:
Base-Base interactions energy: -1849.453
where: short stacking energy: -783.605
Base-Backbone interact. energy: -2.232
local terms energy: -785.927353
where:
bonds (distance) C4'-P energy: -131.609
bonds (distance) P-C4' energy: -160.528
flat angles C4'-P-C4' energy: -157.551
flat angles P-C4'-P energy: -103.578
tors. eta vs tors. theta energy: -232.661
Dist. restrs. and SS energy: 4.173 (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: 3
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -2504.859189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2504.859189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2513.447955 (E_RNA)
where:
Base-Base interactions energy: -1763.034
where: short stacking energy: -762.020
Base-Backbone interact. energy: -1.905
local terms energy: -748.509705
where:
bonds (distance) C4'-P energy: -146.857
bonds (distance) P-C4' energy: -126.646
flat angles C4'-P-C4' energy: -144.936
flat angles P-C4'-P energy: -108.973
tors. eta vs tors. theta energy: -221.099
Dist. restrs. and SS energy: 8.589 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -2468.569105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2468.569105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2477.306033 (E_RNA)
where:
Base-Base interactions energy: -1714.566
where: short stacking energy: -724.767
Base-Backbone interact. energy: -2.850
local terms energy: -759.890569
where:
bonds (distance) C4'-P energy: -138.326
bonds (distance) P-C4' energy: -125.195
flat angles C4'-P-C4' energy: -161.046
flat angles P-C4'-P energy: -119.043
tors. eta vs tors. theta energy: -216.280
Dist. restrs. and SS energy: 8.737 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -2328.895681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2328.895681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2340.251349 (E_RNA)
where:
Base-Base interactions energy: -1633.507
where: short stacking energy: -670.422
Base-Backbone interact. energy: -3.685
local terms energy: -703.059036
where:
bonds (distance) C4'-P energy: -119.337
bonds (distance) P-C4' energy: -129.172
flat angles C4'-P-C4' energy: -157.006
flat angles P-C4'-P energy: -104.295
tors. eta vs tors. theta energy: -193.249
Dist. restrs. and SS energy: 11.356 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -2269.225652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2269.225652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2275.238292 (E_RNA)
where:
Base-Base interactions energy: -1580.395
where: short stacking energy: -656.299
Base-Backbone interact. energy: -0.737
local terms energy: -694.106059
where:
bonds (distance) C4'-P energy: -127.263
bonds (distance) P-C4' energy: -122.783
flat angles C4'-P-C4' energy: -148.211
flat angles P-C4'-P energy: -95.943
tors. eta vs tors. theta energy: -199.905
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: 8, replica: 4
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -2113.141513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2113.141513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2135.141140 (E_RNA)
where:
Base-Base interactions energy: -1513.893
where: short stacking energy: -635.741
Base-Backbone interact. energy: 2.843
local terms energy: -624.091157
where:
bonds (distance) C4'-P energy: -122.766
bonds (distance) P-C4' energy: -118.039
flat angles C4'-P-C4' energy: -118.634
flat angles P-C4'-P energy: -80.120
tors. eta vs tors. theta energy: -184.532
Dist. restrs. and SS energy: 22.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -2050.654636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2050.654636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2065.003539 (E_RNA)
where:
Base-Base interactions energy: -1464.616
where: short stacking energy: -600.589
Base-Backbone interact. energy: 3.491
local terms energy: -603.879201
where:
bonds (distance) C4'-P energy: -102.458
bonds (distance) P-C4' energy: -112.999
flat angles C4'-P-C4' energy: -133.019
flat angles P-C4'-P energy: -84.460
tors. eta vs tors. theta energy: -170.943
Dist. restrs. and SS energy: 14.349 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -1937.150707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.150707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1950.797734 (E_RNA)
where:
Base-Base interactions energy: -1355.410
where: short stacking energy: -552.010
Base-Backbone interact. energy: 2.491
local terms energy: -597.879243
where:
bonds (distance) C4'-P energy: -98.680
bonds (distance) P-C4' energy: -109.019
flat angles C4'-P-C4' energy: -146.927
flat angles P-C4'-P energy: -81.717
tors. eta vs tors. theta energy: -161.536
Dist. restrs. and SS energy: 13.647 (S_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: 285
Temperature: 0.900000
Total energy: -2776.627142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2776.627142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2780.211811 (E_RNA)
where:
Base-Base interactions energy: -1950.484
where: short stacking energy: -846.852
Base-Backbone interact. energy: -2.347
local terms energy: -827.380421
where:
bonds (distance) C4'-P energy: -137.392
bonds (distance) P-C4' energy: -129.893
flat angles C4'-P-C4' energy: -176.241
flat angles P-C4'-P energy: -128.217
tors. eta vs tors. theta energy: -255.638
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: 8
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -2667.517732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2667.517732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2673.635845 (E_RNA)
where:
Base-Base interactions energy: -1863.635
where: short stacking energy: -785.971
Base-Backbone interact. energy: -2.655
local terms energy: -807.345667
where:
bonds (distance) C4'-P energy: -137.538
bonds (distance) P-C4' energy: -155.051
flat angles C4'-P-C4' energy: -169.008
flat angles P-C4'-P energy: -123.081
tors. eta vs tors. theta energy: -222.668
Dist. restrs. and SS energy: 6.118 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -2675.898584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2675.898584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2680.302327 (E_RNA)
where:
Base-Base interactions energy: -1860.986
where: short stacking energy: -801.150
Base-Backbone interact. energy: -4.384
local terms energy: -814.932414
where:
bonds (distance) C4'-P energy: -157.456
bonds (distance) P-C4' energy: -137.504
flat angles C4'-P-C4' energy: -167.754
flat angles P-C4'-P energy: -113.284
tors. eta vs tors. theta energy: -238.934
Dist. restrs. and SS energy: 4.404 (S_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: 285
Temperature: 1.050000
Total energy: -2491.029129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2491.029129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2497.607811 (E_RNA)
where:
Base-Base interactions energy: -1732.573
where: short stacking energy: -726.842
Base-Backbone interact. energy: -1.739
local terms energy: -763.296227
where:
bonds (distance) C4'-P energy: -128.759
bonds (distance) P-C4' energy: -148.937
flat angles C4'-P-C4' energy: -158.031
flat angles P-C4'-P energy: -108.159
tors. eta vs tors. theta energy: -219.411
Dist. restrs. and SS energy: 6.579 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -2462.752671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2462.752671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2474.418965 (E_RNA)
where:
Base-Base interactions energy: -1708.058
where: short stacking energy: -735.734
Base-Backbone interact. energy: -2.394
local terms energy: -763.966989
where:
bonds (distance) C4'-P energy: -123.820
bonds (distance) P-C4' energy: -136.064
flat angles C4'-P-C4' energy: -167.204
flat angles P-C4'-P energy: -112.022
tors. eta vs tors. theta energy: -224.857
Dist. restrs. and SS energy: 11.666 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -2350.301866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2350.301866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2362.615519 (E_RNA)
where:
Base-Base interactions energy: -1679.332
where: short stacking energy: -697.951
Base-Backbone interact. energy: 2.364
local terms energy: -685.647377
where:
bonds (distance) C4'-P energy: -122.335
bonds (distance) P-C4' energy: -124.401
flat angles C4'-P-C4' energy: -149.670
flat angles P-C4'-P energy: -86.967
tors. eta vs tors. theta energy: -202.274
Dist. restrs. and SS energy: 12.314 (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: 9
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -2252.590967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2252.590967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2266.629732 (E_RNA)
where:
Base-Base interactions energy: -1571.145
where: short stacking energy: -673.702
Base-Backbone interact. energy: -1.841
local terms energy: -693.643514
where:
bonds (distance) C4'-P energy: -113.412
bonds (distance) P-C4' energy: -124.406
flat angles C4'-P-C4' energy: -150.883
flat angles P-C4'-P energy: -97.653
tors. eta vs tors. theta energy: -207.290
Dist. restrs. and SS energy: 14.039 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -2128.730244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2128.730244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2145.276109 (E_RNA)
where:
Base-Base interactions energy: -1514.034
where: short stacking energy: -633.386
Base-Backbone interact. energy: -1.128
local terms energy: -630.114532
where:
bonds (distance) C4'-P energy: -123.624
bonds (distance) P-C4' energy: -133.727
flat angles C4'-P-C4' energy: -125.189
flat angles P-C4'-P energy: -64.864
tors. eta vs tors. theta energy: -182.712
Dist. restrs. and SS energy: 16.546 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -2050.878442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2050.878442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2068.000675 (E_RNA)
where:
Base-Base interactions energy: -1437.934
where: short stacking energy: -603.195
Base-Backbone interact. energy: -2.781
local terms energy: -627.286256
where:
bonds (distance) C4'-P energy: -112.055
bonds (distance) P-C4' energy: -129.413
flat angles C4'-P-C4' energy: -134.922
flat angles P-C4'-P energy: -85.644
tors. eta vs tors. theta energy: -165.252
Dist. restrs. and SS energy: 17.122 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -1977.625993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1977.625993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2003.840618 (E_RNA)
where:
Base-Base interactions energy: -1395.056
where: short stacking energy: -591.971
Base-Backbone interact. energy: 3.570
local terms energy: -612.354304
where:
bonds (distance) C4'-P energy: -126.995
bonds (distance) P-C4' energy: -104.443
flat angles C4'-P-C4' energy: -148.418
flat angles P-C4'-P energy: -84.433
tors. eta vs tors. theta energy: -148.066
Dist. restrs. and SS energy: 26.215 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -2784.643706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2784.643706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2787.133123 (E_RNA)
where:
Base-Base interactions energy: -1938.446
where: short stacking energy: -829.550
Base-Backbone interact. energy: -1.822
local terms energy: -846.865561
where:
bonds (distance) C4'-P energy: -141.888
bonds (distance) P-C4' energy: -151.177
flat angles C4'-P-C4' energy: -179.354
flat angles P-C4'-P energy: -126.692
tors. eta vs tors. theta energy: -247.754
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: 2, replica: 8
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -2655.147734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2655.147734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2659.595754 (E_RNA)
where:
Base-Base interactions energy: -1837.554
where: short stacking energy: -808.139
Base-Backbone interact. energy: -4.342
local terms energy: -817.700408
where:
bonds (distance) C4'-P energy: -143.393
bonds (distance) P-C4' energy: -147.876
flat angles C4'-P-C4' energy: -177.116
flat angles P-C4'-P energy: -110.580
tors. eta vs tors. theta energy: -238.736
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: 3, replica: 5
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -2643.803654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2643.803654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2648.998664 (E_RNA)
where:
Base-Base interactions energy: -1850.618
where: short stacking energy: -798.870
Base-Backbone interact. energy: -2.983
local terms energy: -795.397868
where:
bonds (distance) C4'-P energy: -140.543
bonds (distance) P-C4' energy: -129.980
flat angles C4'-P-C4' energy: -163.196
flat angles P-C4'-P energy: -107.670
tors. eta vs tors. theta energy: -254.009
Dist. restrs. and SS energy: 5.195 (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: 286
Temperature: 1.050000
Total energy: -2487.317200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2487.317200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2493.114392 (E_RNA)
where:
Base-Base interactions energy: -1744.579
where: short stacking energy: -701.662
Base-Backbone interact. energy: -1.217
local terms energy: -747.318231
where:
bonds (distance) C4'-P energy: -143.247
bonds (distance) P-C4' energy: -136.268
flat angles C4'-P-C4' energy: -153.875
flat angles P-C4'-P energy: -103.708
tors. eta vs tors. theta energy: -210.220
Dist. restrs. and SS energy: 5.797 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -2465.560587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2465.560587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2473.760065 (E_RNA)
where:
Base-Base interactions energy: -1736.079
where: short stacking energy: -737.165
Base-Backbone interact. energy: -1.173
local terms energy: -736.508011
where:
bonds (distance) C4'-P energy: -131.196
bonds (distance) P-C4' energy: -132.586
flat angles C4'-P-C4' energy: -154.568
flat angles P-C4'-P energy: -97.893
tors. eta vs tors. theta energy: -220.264
Dist. restrs. and SS energy: 8.199 (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: 7
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -2329.161419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2329.161419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2341.497798 (E_RNA)
where:
Base-Base interactions energy: -1658.099
where: short stacking energy: -693.017
Base-Backbone interact. energy: 4.948
local terms energy: -688.347576
where:
bonds (distance) C4'-P energy: -124.929
bonds (distance) P-C4' energy: -116.719
flat angles C4'-P-C4' energy: -144.005
flat angles P-C4'-P energy: -105.534
tors. eta vs tors. theta energy: -197.160
Dist. restrs. and SS energy: 12.336 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -2227.326076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2227.326076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2233.990820 (E_RNA)
where:
Base-Base interactions energy: -1553.528
where: short stacking energy: -647.610
Base-Backbone interact. energy: -1.842
local terms energy: -678.620149
where:
bonds (distance) C4'-P energy: -129.487
bonds (distance) P-C4' energy: -122.888
flat angles C4'-P-C4' energy: -144.456
flat angles P-C4'-P energy: -96.221
tors. eta vs tors. theta energy: -185.570
Dist. restrs. and SS energy: 6.665 (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: 4
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -2116.709019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2116.709019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2136.740472 (E_RNA)
where:
Base-Base interactions energy: -1478.476
where: short stacking energy: -616.114
Base-Backbone interact. energy: 0.059
local terms energy: -658.323809
where:
bonds (distance) C4'-P energy: -137.637
bonds (distance) P-C4' energy: -105.981
flat angles C4'-P-C4' energy: -137.048
flat angles P-C4'-P energy: -89.235
tors. eta vs tors. theta energy: -188.423
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: 1
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -2004.683183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2004.683183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2018.771735 (E_RNA)
where:
Base-Base interactions energy: -1435.351
where: short stacking energy: -609.357
Base-Backbone interact. energy: 1.523
local terms energy: -584.942838
where:
bonds (distance) C4'-P energy: -119.282
bonds (distance) P-C4' energy: -113.515
flat angles C4'-P-C4' energy: -132.187
flat angles P-C4'-P energy: -68.919
tors. eta vs tors. theta energy: -151.041
Dist. restrs. and SS energy: 14.089 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -1904.885748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1904.885748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.962739 (E_RNA)
where:
Base-Base interactions energy: -1387.971
where: short stacking energy: -569.038
Base-Backbone interact. energy: 0.546
local terms energy: -536.537714
where:
bonds (distance) C4'-P energy: -76.697
bonds (distance) P-C4' energy: -110.601
flat angles C4'-P-C4' energy: -124.529
flat angles P-C4'-P energy: -59.390
tors. eta vs tors. theta energy: -165.321
Dist. restrs. and SS energy: 19.077 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -2757.769448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2757.769448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2760.160093 (E_RNA)
where:
Base-Base interactions energy: -1917.238
where: short stacking energy: -824.956
Base-Backbone interact. energy: -2.587
local terms energy: -840.334649
where:
bonds (distance) C4'-P energy: -140.958
bonds (distance) P-C4' energy: -139.935
flat angles C4'-P-C4' energy: -181.282
flat angles P-C4'-P energy: -121.648
tors. eta vs tors. theta energy: -256.511
Dist. restrs. and SS energy: 2.391 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -2688.898364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2688.898364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2693.517209 (E_RNA)
where:
Base-Base interactions energy: -1895.202
where: short stacking energy: -805.302
Base-Backbone interact. energy: -6.567
local terms energy: -791.748259
where:
bonds (distance) C4'-P energy: -131.497
bonds (distance) P-C4' energy: -145.081
flat angles C4'-P-C4' energy: -161.947
flat angles P-C4'-P energy: -113.129
tors. eta vs tors. theta energy: -240.094
Dist. restrs. and SS energy: 4.619 (S_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: 287
Temperature: 1.000000
Total energy: -2644.599180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2644.599180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2648.861954 (E_RNA)
where:
Base-Base interactions energy: -1873.988
where: short stacking energy: -793.309
Base-Backbone interact. energy: -3.720
local terms energy: -771.154404
where:
bonds (distance) C4'-P energy: -128.684
bonds (distance) P-C4' energy: -131.520
flat angles C4'-P-C4' energy: -162.517
flat angles P-C4'-P energy: -103.029
tors. eta vs tors. theta energy: -245.404
Dist. restrs. and SS energy: 4.263 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -2530.286547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2530.286547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2535.308933 (E_RNA)
where:
Base-Base interactions energy: -1761.567
where: short stacking energy: -743.086
Base-Backbone interact. energy: -3.730
local terms energy: -770.011544
where:
bonds (distance) C4'-P energy: -143.198
bonds (distance) P-C4' energy: -128.840
flat angles C4'-P-C4' energy: -163.283
flat angles P-C4'-P energy: -111.770
tors. eta vs tors. theta energy: -222.920
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: 3
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -2424.123368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2424.123368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2432.143265 (E_RNA)
where:
Base-Base interactions energy: -1709.810
where: short stacking energy: -709.341
Base-Backbone interact. energy: -6.270
local terms energy: -716.063262
where:
bonds (distance) C4'-P energy: -128.888
bonds (distance) P-C4' energy: -120.188
flat angles C4'-P-C4' energy: -164.770
flat angles P-C4'-P energy: -97.007
tors. eta vs tors. theta energy: -205.209
Dist. restrs. and SS energy: 8.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -2356.366777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2356.366777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2368.703077 (E_RNA)
where:
Base-Base interactions energy: -1642.000
where: short stacking energy: -676.875
Base-Backbone interact. energy: 3.571
local terms energy: -730.273308
where:
bonds (distance) C4'-P energy: -134.326
bonds (distance) P-C4' energy: -141.260
flat angles C4'-P-C4' energy: -152.777
flat angles P-C4'-P energy: -93.562
tors. eta vs tors. theta energy: -208.348
Dist. restrs. and SS energy: 12.336 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -2248.384799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2248.384799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2265.050694 (E_RNA)
where:
Base-Base interactions energy: -1614.865
where: short stacking energy: -698.132
Base-Backbone interact. energy: 1.225
local terms energy: -651.410449
where:
bonds (distance) C4'-P energy: -98.632
bonds (distance) P-C4' energy: -111.199
flat angles C4'-P-C4' energy: -160.843
flat angles P-C4'-P energy: -91.161
tors. eta vs tors. theta energy: -189.576
Dist. restrs. and SS energy: 16.666 (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: 4
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -2152.987788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2152.987788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2163.479349 (E_RNA)
where:
Base-Base interactions energy: -1517.285
where: short stacking energy: -631.539
Base-Backbone interact. energy: -2.095
local terms energy: -644.099623
where:
bonds (distance) C4'-P energy: -119.402
bonds (distance) P-C4' energy: -110.971
flat angles C4'-P-C4' energy: -133.166
flat angles P-C4'-P energy: -96.947
tors. eta vs tors. theta energy: -183.614
Dist. restrs. and SS energy: 10.492 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -2021.125009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2021.125009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2035.210864 (E_RNA)
where:
Base-Base interactions energy: -1424.846
where: short stacking energy: -582.757
Base-Backbone interact. energy: -0.251
local terms energy: -610.113722
where:
bonds (distance) C4'-P energy: -114.973
bonds (distance) P-C4' energy: -107.267
flat angles C4'-P-C4' energy: -134.717
flat angles P-C4'-P energy: -83.474
tors. eta vs tors. theta energy: -169.683
Dist. restrs. and SS energy: 14.086 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -1933.591068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.591068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.341018 (E_RNA)
where:
Base-Base interactions energy: -1348.662
where: short stacking energy: -557.343
Base-Backbone interact. energy: -0.737
local terms energy: -602.941822
where:
bonds (distance) C4'-P energy: -100.406
bonds (distance) P-C4' energy: -122.369
flat angles C4'-P-C4' energy: -143.587
flat angles P-C4'-P energy: -72.327
tors. eta vs tors. theta energy: -164.254
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: 2
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -2812.279612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2812.279612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2814.768092 (E_RNA)
where:
Base-Base interactions energy: -1950.711
where: short stacking energy: -829.343
Base-Backbone interact. energy: -0.310
local terms energy: -863.746919
where:
bonds (distance) C4'-P energy: -149.279
bonds (distance) P-C4' energy: -151.005
flat angles C4'-P-C4' energy: -176.621
flat angles P-C4'-P energy: -134.683
tors. eta vs tors. theta energy: -252.159
Dist. restrs. and SS energy: 2.488 (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: 8
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -2665.728452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2665.728452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2671.502272 (E_RNA)
where:
Base-Base interactions energy: -1877.826
where: short stacking energy: -818.935
Base-Backbone interact. energy: -3.500
local terms energy: -790.176176
where:
bonds (distance) C4'-P energy: -148.367
bonds (distance) P-C4' energy: -129.462
flat angles C4'-P-C4' energy: -160.767
flat angles P-C4'-P energy: -109.667
tors. eta vs tors. theta energy: -241.913
Dist. restrs. and SS energy: 5.774 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -2651.515950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2651.515950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2654.405566 (E_RNA)
where:
Base-Base interactions energy: -1840.848
where: short stacking energy: -772.656
Base-Backbone interact. energy: -2.773
local terms energy: -810.784452
where:
bonds (distance) C4'-P energy: -125.190
bonds (distance) P-C4' energy: -150.782
flat angles C4'-P-C4' energy: -172.967
flat angles P-C4'-P energy: -123.479
tors. eta vs tors. theta energy: -238.367
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: 288
Temperature: 1.050000
Total energy: -2502.864775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2502.864775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2510.921100 (E_RNA)
where:
Base-Base interactions energy: -1742.570
where: short stacking energy: -743.617
Base-Backbone interact. energy: -2.034
local terms energy: -766.317578
where:
bonds (distance) C4'-P energy: -154.888
bonds (distance) P-C4' energy: -145.966
flat angles C4'-P-C4' energy: -158.124
flat angles P-C4'-P energy: -91.943
tors. eta vs tors. theta energy: -215.397
Dist. restrs. and SS energy: 8.056 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -2423.269940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2423.269940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2431.329641 (E_RNA)
where:
Base-Base interactions energy: -1684.986
where: short stacking energy: -698.520
Base-Backbone interact. energy: -3.312
local terms energy: -743.031862
where:
bonds (distance) C4'-P energy: -132.665
bonds (distance) P-C4' energy: -124.957
flat angles C4'-P-C4' energy: -163.999
flat angles P-C4'-P energy: -105.631
tors. eta vs tors. theta energy: -215.779
Dist. restrs. and SS energy: 8.060 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -2385.380977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2385.380977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2392.730755 (E_RNA)
where:
Base-Base interactions energy: -1647.777
where: short stacking energy: -699.234
Base-Backbone interact. energy: -1.954
local terms energy: -742.999131
where:
bonds (distance) C4'-P energy: -122.587
bonds (distance) P-C4' energy: -143.307
flat angles C4'-P-C4' energy: -158.960
flat angles P-C4'-P energy: -109.976
tors. eta vs tors. theta energy: -208.169
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: 7, replica: 4
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -2176.759247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2176.759247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2187.403493 (E_RNA)
where:
Base-Base interactions energy: -1518.401
where: short stacking energy: -632.158
Base-Backbone interact. energy: 2.705
local terms energy: -671.707359
where:
bonds (distance) C4'-P energy: -112.540
bonds (distance) P-C4' energy: -125.024
flat angles C4'-P-C4' energy: -155.336
flat angles P-C4'-P energy: -80.879
tors. eta vs tors. theta energy: -197.929
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: 8, replica: 9
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -2139.074715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2139.074715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2154.074671 (E_RNA)
where:
Base-Base interactions energy: -1526.522
where: short stacking energy: -657.284
Base-Backbone interact. energy: -0.352
local terms energy: -627.200448
where:
bonds (distance) C4'-P energy: -110.254
bonds (distance) P-C4' energy: -138.426
flat angles C4'-P-C4' energy: -121.389
flat angles P-C4'-P energy: -72.339
tors. eta vs tors. theta energy: -184.793
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: 9, replica: 1
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -2054.322643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2054.322643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2077.027715 (E_RNA)
where:
Base-Base interactions energy: -1451.124
where: short stacking energy: -600.766
Base-Backbone interact. energy: -1.875
local terms energy: -624.028634
where:
bonds (distance) C4'-P energy: -111.207
bonds (distance) P-C4' energy: -116.158
flat angles C4'-P-C4' energy: -140.786
flat angles P-C4'-P energy: -91.871
tors. eta vs tors. theta energy: -164.006
Dist. restrs. and SS energy: 22.705 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -1987.128710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1987.128710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2000.417799 (E_RNA)
where:
Base-Base interactions energy: -1398.817
where: short stacking energy: -592.558
Base-Backbone interact. energy: -4.004
local terms energy: -597.597661
where:
bonds (distance) C4'-P energy: -87.913
bonds (distance) P-C4' energy: -115.184
flat angles C4'-P-C4' energy: -129.325
flat angles P-C4'-P energy: -90.761
tors. eta vs tors. theta energy: -174.415
Dist. restrs. and SS energy: 13.289 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -2777.361218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2777.361218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2781.209405 (E_RNA)
where:
Base-Base interactions energy: -1917.026
where: short stacking energy: -821.026
Base-Backbone interact. energy: -2.106
local terms energy: -862.077259
where:
bonds (distance) C4'-P energy: -151.682
bonds (distance) P-C4' energy: -149.216
flat angles C4'-P-C4' energy: -179.106
flat angles P-C4'-P energy: -120.144
tors. eta vs tors. theta energy: -261.930
Dist. restrs. and SS energy: 3.848 (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: 8
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -2699.879212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2699.879212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2701.823634 (E_RNA)
where:
Base-Base interactions energy: -1898.683
where: short stacking energy: -805.395
Base-Backbone interact. energy: -0.313
local terms energy: -802.827949
where:
bonds (distance) C4'-P energy: -140.216
bonds (distance) P-C4' energy: -149.238
flat angles C4'-P-C4' energy: -162.405
flat angles P-C4'-P energy: -118.875
tors. eta vs tors. theta energy: -232.095
Dist. restrs. and SS energy: 1.944 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -2647.784397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2647.784397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2650.756572 (E_RNA)
where:
Base-Base interactions energy: -1864.952
where: short stacking energy: -782.908
Base-Backbone interact. energy: 3.247
local terms energy: -789.051552
where:
bonds (distance) C4'-P energy: -138.338
bonds (distance) P-C4' energy: -128.263
flat angles C4'-P-C4' energy: -165.198
flat angles P-C4'-P energy: -116.647
tors. eta vs tors. theta energy: -240.605
Dist. restrs. and SS energy: 2.972 (S_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: -2465.341386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2465.341386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2475.173237 (E_RNA)
where:
Base-Base interactions energy: -1720.761
where: short stacking energy: -728.481
Base-Backbone interact. energy: 2.666
local terms energy: -757.078554
where:
bonds (distance) C4'-P energy: -119.390
bonds (distance) P-C4' energy: -145.858
flat angles C4'-P-C4' energy: -162.708
flat angles P-C4'-P energy: -103.918
tors. eta vs tors. theta energy: -225.205
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: 5, replica: 7
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -2423.938101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2423.938101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2434.813795 (E_RNA)
where:
Base-Base interactions energy: -1685.380
where: short stacking energy: -690.489
Base-Backbone interact. energy: -0.169
local terms energy: -749.265185
where:
bonds (distance) C4'-P energy: -131.555
bonds (distance) P-C4' energy: -138.811
flat angles C4'-P-C4' energy: -167.132
flat angles P-C4'-P energy: -98.869
tors. eta vs tors. theta energy: -212.898
Dist. restrs. and SS energy: 10.876 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -2387.622323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2387.622323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2393.819725 (E_RNA)
where:
Base-Base interactions energy: -1676.843
where: short stacking energy: -721.039
Base-Backbone interact. energy: -0.060
local terms energy: -716.916939
where:
bonds (distance) C4'-P energy: -114.626
bonds (distance) P-C4' energy: -126.790
flat angles C4'-P-C4' energy: -158.501
flat angles P-C4'-P energy: -108.267
tors. eta vs tors. theta energy: -208.734
Dist. restrs. and SS energy: 6.197 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -2211.874313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2211.874313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2222.133469 (E_RNA)
where:
Base-Base interactions energy: -1550.232
where: short stacking energy: -657.662
Base-Backbone interact. energy: -1.429
local terms energy: -670.472341
where:
bonds (distance) C4'-P energy: -130.456
bonds (distance) P-C4' energy: -98.637
flat angles C4'-P-C4' energy: -139.009
flat angles P-C4'-P energy: -101.005
tors. eta vs tors. theta energy: -201.365
Dist. restrs. and SS energy: 10.259 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -2140.686596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2140.686596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2156.150257 (E_RNA)
where:
Base-Base interactions energy: -1525.512
where: short stacking energy: -633.339
Base-Backbone interact. energy: 1.228
local terms energy: -631.865818
where:
bonds (distance) C4'-P energy: -115.230
bonds (distance) P-C4' energy: -114.194
flat angles C4'-P-C4' energy: -137.295
flat angles P-C4'-P energy: -88.409
tors. eta vs tors. theta energy: -176.738
Dist. restrs. and SS energy: 15.464 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -2044.521356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2044.521356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2064.074902 (E_RNA)
where:
Base-Base interactions energy: -1478.252
where: short stacking energy: -576.696
Base-Backbone interact. energy: 0.760
local terms energy: -586.582529
where:
bonds (distance) C4'-P energy: -114.369
bonds (distance) P-C4' energy: -100.375
flat angles C4'-P-C4' energy: -127.122
flat angles P-C4'-P energy: -93.180
tors. eta vs tors. theta energy: -151.536
Dist. restrs. and SS energy: 19.554 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -2003.647819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2003.647819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2023.444289 (E_RNA)
where:
Base-Base interactions energy: -1449.173
where: short stacking energy: -573.924
Base-Backbone interact. energy: 0.808
local terms energy: -575.079111
where:
bonds (distance) C4'-P energy: -106.738
bonds (distance) P-C4' energy: -118.244
flat angles C4'-P-C4' energy: -106.017
flat angles P-C4'-P energy: -67.652
tors. eta vs tors. theta energy: -176.428
Dist. restrs. and SS energy: 19.796 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -2783.005401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2783.005401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2786.678575 (E_RNA)
where:
Base-Base interactions energy: -1929.005
where: short stacking energy: -846.398
Base-Backbone interact. energy: -4.602
local terms energy: -853.071535
where:
bonds (distance) C4'-P energy: -142.770
bonds (distance) P-C4' energy: -146.146
flat angles C4'-P-C4' energy: -180.244
flat angles P-C4'-P energy: -127.336
tors. eta vs tors. theta energy: -256.575
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: 8
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -2672.051711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2672.051711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2674.315305 (E_RNA)
where:
Base-Base interactions energy: -1874.929
where: short stacking energy: -820.690
Base-Backbone interact. energy: -1.200
local terms energy: -798.185932
where:
bonds (distance) C4'-P energy: -123.143
bonds (distance) P-C4' energy: -149.811
flat angles C4'-P-C4' energy: -169.576
flat angles P-C4'-P energy: -118.739
tors. eta vs tors. theta energy: -236.918
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: 3, replica: 5
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -2633.270236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2633.270236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2635.326830 (E_RNA)
where:
Base-Base interactions energy: -1830.942
where: short stacking energy: -786.408
Base-Backbone interact. energy: -1.453
local terms energy: -802.932015
where:
bonds (distance) C4'-P energy: -135.136
bonds (distance) P-C4' energy: -144.451
flat angles C4'-P-C4' energy: -176.554
flat angles P-C4'-P energy: -108.820
tors. eta vs tors. theta energy: -237.972
Dist. restrs. and SS energy: 2.057 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -2470.728638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2470.728638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2480.697445 (E_RNA)
where:
Base-Base interactions energy: -1736.534
where: short stacking energy: -725.331
Base-Backbone interact. energy: -4.030
local terms energy: -740.133081
where:
bonds (distance) C4'-P energy: -131.754
bonds (distance) P-C4' energy: -138.900
flat angles C4'-P-C4' energy: -161.215
flat angles P-C4'-P energy: -97.471
tors. eta vs tors. theta energy: -210.793
Dist. restrs. and SS energy: 9.969 (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: 3
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -2439.986468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2439.986468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2447.877747 (E_RNA)
where:
Base-Base interactions energy: -1714.358
where: short stacking energy: -720.227
Base-Backbone interact. energy: -1.630
local terms energy: -731.890229
where:
bonds (distance) C4'-P energy: -119.114
bonds (distance) P-C4' energy: -148.128
flat angles C4'-P-C4' energy: -161.934
flat angles P-C4'-P energy: -92.784
tors. eta vs tors. theta energy: -209.930
Dist. restrs. and SS energy: 7.891 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -2381.671856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2381.671856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2390.674334 (E_RNA)
where:
Base-Base interactions energy: -1646.533
where: short stacking energy: -688.921
Base-Backbone interact. energy: 0.927
local terms energy: -745.067562
where:
bonds (distance) C4'-P energy: -128.796
bonds (distance) P-C4' energy: -143.525
flat angles C4'-P-C4' energy: -139.338
flat angles P-C4'-P energy: -120.139
tors. eta vs tors. theta energy: -213.269
Dist. restrs. and SS energy: 9.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -2196.553356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2196.553356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2209.849287 (E_RNA)
where:
Base-Base interactions energy: -1554.608
where: short stacking energy: -653.627
Base-Backbone interact. energy: 0.972
local terms energy: -656.213343
where:
bonds (distance) C4'-P energy: -112.462
bonds (distance) P-C4' energy: -124.978
flat angles C4'-P-C4' energy: -148.779
flat angles P-C4'-P energy: -80.643
tors. eta vs tors. theta energy: -189.351
Dist. restrs. and SS energy: 13.296 (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: 9
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -2134.489418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2134.489418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2153.204975 (E_RNA)
where:
Base-Base interactions energy: -1517.588
where: short stacking energy: -633.949
Base-Backbone interact. energy: -1.775
local terms energy: -633.842441
where:
bonds (distance) C4'-P energy: -125.169
bonds (distance) P-C4' energy: -92.929
flat angles C4'-P-C4' energy: -143.494
flat angles P-C4'-P energy: -82.381
tors. eta vs tors. theta energy: -189.871
Dist. restrs. and SS energy: 18.716 (S_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: 290
Temperature: 1.300000
Total energy: -2040.845522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2040.845522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2062.525633 (E_RNA)
where:
Base-Base interactions energy: -1464.058
where: short stacking energy: -612.698
Base-Backbone interact. energy: -1.656
local terms energy: -596.811326
where:
bonds (distance) C4'-P energy: -116.322
bonds (distance) P-C4' energy: -118.628
flat angles C4'-P-C4' energy: -120.646
flat angles P-C4'-P energy: -92.459
tors. eta vs tors. theta energy: -148.757
Dist. restrs. and SS energy: 21.680 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -2023.559824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2023.559824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2044.095461 (E_RNA)
where:
Base-Base interactions energy: -1450.192
where: short stacking energy: -562.469
Base-Backbone interact. energy: 5.098
local terms energy: -599.001592
where:
bonds (distance) C4'-P energy: -113.006
bonds (distance) P-C4' energy: -113.484
flat angles C4'-P-C4' energy: -129.677
flat angles P-C4'-P energy: -76.692
tors. eta vs tors. theta energy: -166.143
Dist. restrs. and SS energy: 20.536 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -2762.855610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2762.855610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2766.917433 (E_RNA)
where:
Base-Base interactions energy: -1935.424
where: short stacking energy: -827.280
Base-Backbone interact. energy: -3.204
local terms energy: -828.289360
where:
bonds (distance) C4'-P energy: -136.027
bonds (distance) P-C4' energy: -141.814
flat angles C4'-P-C4' energy: -173.901
flat angles P-C4'-P energy: -122.793
tors. eta vs tors. theta energy: -253.754
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: 2, replica: 8
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -2662.622804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2662.622804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2665.502008 (E_RNA)
where:
Base-Base interactions energy: -1867.935
where: short stacking energy: -797.455
Base-Backbone interact. energy: -1.894
local terms energy: -795.673051
where:
bonds (distance) C4'-P energy: -141.354
bonds (distance) P-C4' energy: -125.533
flat angles C4'-P-C4' energy: -175.014
flat angles P-C4'-P energy: -115.733
tors. eta vs tors. theta energy: -238.039
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: 3, replica: 5
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -2630.446831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2630.446831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2634.976165 (E_RNA)
where:
Base-Base interactions energy: -1848.546
where: short stacking energy: -770.215
Base-Backbone interact. energy: -5.064
local terms energy: -781.365414
where:
bonds (distance) C4'-P energy: -130.187
bonds (distance) P-C4' energy: -145.736
flat angles C4'-P-C4' energy: -166.878
flat angles P-C4'-P energy: -104.999
tors. eta vs tors. theta energy: -233.566
Dist. restrs. and SS energy: 4.529 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -2470.643129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2470.643129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2479.115957 (E_RNA)
where:
Base-Base interactions energy: -1757.679
where: short stacking energy: -748.754
Base-Backbone interact. energy: -3.178
local terms energy: -718.259808
where:
bonds (distance) C4'-P energy: -142.643
bonds (distance) P-C4' energy: -100.191
flat angles C4'-P-C4' energy: -153.542
flat angles P-C4'-P energy: -101.434
tors. eta vs tors. theta energy: -220.449
Dist. restrs. and SS energy: 8.473 (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: 3
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -2411.289259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2411.289259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2417.907939 (E_RNA)
where:
Base-Base interactions energy: -1691.433
where: short stacking energy: -681.115
Base-Backbone interact. energy: -1.317
local terms energy: -725.158004
where:
bonds (distance) C4'-P energy: -118.585
bonds (distance) P-C4' energy: -139.056
flat angles C4'-P-C4' energy: -160.865
flat angles P-C4'-P energy: -97.294
tors. eta vs tors. theta energy: -209.358
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: 7
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -2353.471328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2353.471328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2364.074973 (E_RNA)
where:
Base-Base interactions energy: -1664.563
where: short stacking energy: -699.496
Base-Backbone interact. energy: 3.998
local terms energy: -703.509652
where:
bonds (distance) C4'-P energy: -132.651
bonds (distance) P-C4' energy: -140.791
flat angles C4'-P-C4' energy: -128.990
flat angles P-C4'-P energy: -96.654
tors. eta vs tors. theta energy: -204.424
Dist. restrs. and SS energy: 10.604 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -2202.202713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2202.202713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2218.414620 (E_RNA)
where:
Base-Base interactions energy: -1532.068
where: short stacking energy: -647.827
Base-Backbone interact. energy: -1.885
local terms energy: -684.462186
where:
bonds (distance) C4'-P energy: -116.880
bonds (distance) P-C4' energy: -138.778
flat angles C4'-P-C4' energy: -138.553
flat angles P-C4'-P energy: -88.850
tors. eta vs tors. theta energy: -201.401
Dist. restrs. and SS energy: 16.212 (S_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: 291
Temperature: 1.250000
Total energy: -2110.060355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2110.060355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2121.046952 (E_RNA)
where:
Base-Base interactions energy: -1490.811
where: short stacking energy: -599.757
Base-Backbone interact. energy: -3.164
local terms energy: -627.072284
where:
bonds (distance) C4'-P energy: -98.728
bonds (distance) P-C4' energy: -118.844
flat angles C4'-P-C4' energy: -145.206
flat angles P-C4'-P energy: -88.778
tors. eta vs tors. theta energy: -175.516
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: 9, replica: 1
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -2021.918672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2021.918672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2039.057762 (E_RNA)
where:
Base-Base interactions energy: -1426.071
where: short stacking energy: -598.983
Base-Backbone interact. energy: -0.896
local terms energy: -612.090690
where:
bonds (distance) C4'-P energy: -110.263
bonds (distance) P-C4' energy: -115.862
flat angles C4'-P-C4' energy: -142.014
flat angles P-C4'-P energy: -90.359
tors. eta vs tors. theta energy: -153.593
Dist. restrs. and SS energy: 17.139 (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: 6
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -2045.722969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2045.722969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2058.461415 (E_RNA)
where:
Base-Base interactions energy: -1463.183
where: short stacking energy: -605.384
Base-Backbone interact. energy: -2.923
local terms energy: -592.355774
where:
bonds (distance) C4'-P energy: -116.170
bonds (distance) P-C4' energy: -95.394
flat angles C4'-P-C4' energy: -130.382
flat angles P-C4'-P energy: -74.199
tors. eta vs tors. theta energy: -176.210
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: 1, replica: 2
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -2781.011978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2781.011978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2784.575557 (E_RNA)
where:
Base-Base interactions energy: -1924.523
where: short stacking energy: -842.951
Base-Backbone interact. energy: -1.858
local terms energy: -858.194532
where:
bonds (distance) C4'-P energy: -145.328
bonds (distance) P-C4' energy: -147.170
flat angles C4'-P-C4' energy: -172.110
flat angles P-C4'-P energy: -131.034
tors. eta vs tors. theta energy: -262.552
Dist. restrs. and SS energy: 3.564 (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: 8
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -2687.446206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2687.446206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2691.225761 (E_RNA)
where:
Base-Base interactions energy: -1889.169
where: short stacking energy: -798.232
Base-Backbone interact. energy: -3.385
local terms energy: -798.671717
where:
bonds (distance) C4'-P energy: -148.184
bonds (distance) P-C4' energy: -125.694
flat angles C4'-P-C4' energy: -166.963
flat angles P-C4'-P energy: -119.948
tors. eta vs tors. theta energy: -237.882
Dist. restrs. and SS energy: 3.780 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -2626.618605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2626.618605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2630.811046 (E_RNA)
where:
Base-Base interactions energy: -1839.337
where: short stacking energy: -767.692
Base-Backbone interact. energy: -3.231
local terms energy: -788.243682
where:
bonds (distance) C4'-P energy: -137.559
bonds (distance) P-C4' energy: -138.965
flat angles C4'-P-C4' energy: -165.681
flat angles P-C4'-P energy: -111.994
tors. eta vs tors. theta energy: -234.044
Dist. restrs. and SS energy: 4.192 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -2506.911020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2506.911020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2513.726828 (E_RNA)
where:
Base-Base interactions energy: -1775.666
where: short stacking energy: -737.309
Base-Backbone interact. energy: 1.704
local terms energy: -739.764945
where:
bonds (distance) C4'-P energy: -128.790
bonds (distance) P-C4' energy: -122.762
flat angles C4'-P-C4' energy: -162.668
flat angles P-C4'-P energy: -112.502
tors. eta vs tors. theta energy: -213.043
Dist. restrs. and SS energy: 6.816 (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: 3
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -2426.860004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2426.860004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2434.152172 (E_RNA)
where:
Base-Base interactions energy: -1713.981
where: short stacking energy: -712.782
Base-Backbone interact. energy: -1.783
local terms energy: -718.388702
where:
bonds (distance) C4'-P energy: -129.841
bonds (distance) P-C4' energy: -133.726
flat angles C4'-P-C4' energy: -153.996
flat angles P-C4'-P energy: -98.114
tors. eta vs tors. theta energy: -202.711
Dist. restrs. and SS energy: 7.292 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -2340.071695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2340.071695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2351.391993 (E_RNA)
where:
Base-Base interactions energy: -1625.017
where: short stacking energy: -681.783
Base-Backbone interact. energy: 2.096
local terms energy: -728.470687
where:
bonds (distance) C4'-P energy: -113.043
bonds (distance) P-C4' energy: -148.380
flat angles C4'-P-C4' energy: -155.553
flat angles P-C4'-P energy: -98.639
tors. eta vs tors. theta energy: -212.855
Dist. restrs. and SS energy: 11.320 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -2185.985045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2185.985045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2203.450460 (E_RNA)
where:
Base-Base interactions energy: -1522.831
where: short stacking energy: -623.960
Base-Backbone interact. energy: -2.673
local terms energy: -677.945801
where:
bonds (distance) C4'-P energy: -116.638
bonds (distance) P-C4' energy: -134.937
flat angles C4'-P-C4' energy: -149.692
flat angles P-C4'-P energy: -87.820
tors. eta vs tors. theta energy: -188.860
Dist. restrs. and SS energy: 17.465 (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: 9
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -2092.472025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2092.472025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2111.728270 (E_RNA)
where:
Base-Base interactions energy: -1472.406
where: short stacking energy: -600.767
Base-Backbone interact. energy: 6.162
local terms energy: -645.484478
where:
bonds (distance) C4'-P energy: -113.829
bonds (distance) P-C4' energy: -124.620
flat angles C4'-P-C4' energy: -150.312
flat angles P-C4'-P energy: -69.832
tors. eta vs tors. theta energy: -186.892
Dist. restrs. and SS energy: 19.256 (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: 1
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -2039.527978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2039.527978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2050.555002 (E_RNA)
where:
Base-Base interactions energy: -1440.101
where: short stacking energy: -578.053
Base-Backbone interact. energy: 2.588
local terms energy: -613.042903
where:
bonds (distance) C4'-P energy: -120.350
bonds (distance) P-C4' energy: -128.496
flat angles C4'-P-C4' energy: -137.125
flat angles P-C4'-P energy: -75.512
tors. eta vs tors. theta energy: -151.559
Dist. restrs. and SS energy: 11.027 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -1929.625036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1929.625036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.644087 (E_RNA)
where:
Base-Base interactions energy: -1326.175
where: short stacking energy: -533.935
Base-Backbone interact. energy: 0.371
local terms energy: -617.840623
where:
bonds (distance) C4'-P energy: -138.305
bonds (distance) P-C4' energy: -130.575
flat angles C4'-P-C4' energy: -118.166
flat angles P-C4'-P energy: -69.805
tors. eta vs tors. theta energy: -160.989
Dist. restrs. and SS energy: 14.019 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -2777.562179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2777.562179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2779.685808 (E_RNA)
where:
Base-Base interactions energy: -1950.114
where: short stacking energy: -829.834
Base-Backbone interact. energy: -1.604
local terms energy: -827.968333
where:
bonds (distance) C4'-P energy: -139.423
bonds (distance) P-C4' energy: -146.805
flat angles C4'-P-C4' energy: -166.509
flat angles P-C4'-P energy: -119.511
tors. eta vs tors. theta energy: -255.720
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: 8
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -2702.629763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2702.629763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2706.131971 (E_RNA)
where:
Base-Base interactions energy: -1892.926
where: short stacking energy: -807.437
Base-Backbone interact. energy: -3.191
local terms energy: -810.015175
where:
bonds (distance) C4'-P energy: -134.349
bonds (distance) P-C4' energy: -144.101
flat angles C4'-P-C4' energy: -164.648
flat angles P-C4'-P energy: -124.614
tors. eta vs tors. theta energy: -242.303
Dist. restrs. and SS energy: 3.502 (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: 293
Temperature: 1.000000
Total energy: -2642.578007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2642.578007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2646.286952 (E_RNA)
where:
Base-Base interactions energy: -1850.378
where: short stacking energy: -777.069
Base-Backbone interact. energy: -4.626
local terms energy: -791.282945
where:
bonds (distance) C4'-P energy: -131.184
bonds (distance) P-C4' energy: -143.504
flat angles C4'-P-C4' energy: -169.930
flat angles P-C4'-P energy: -103.960
tors. eta vs tors. theta energy: -242.706
Dist. restrs. and SS energy: 3.709 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -2513.166805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2513.166805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2518.927455 (E_RNA)
where:
Base-Base interactions energy: -1767.101
where: short stacking energy: -734.214
Base-Backbone interact. energy: 1.128
local terms energy: -752.955011
where:
bonds (distance) C4'-P energy: -129.689
bonds (distance) P-C4' energy: -135.117
flat angles C4'-P-C4' energy: -157.202
flat angles P-C4'-P energy: -102.862
tors. eta vs tors. theta energy: -228.085
Dist. restrs. and SS energy: 5.761 (S_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: 293
Temperature: 1.100000
Total energy: -2444.522536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2444.522536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2450.565733 (E_RNA)
where:
Base-Base interactions energy: -1719.089
where: short stacking energy: -703.362
Base-Backbone interact. energy: -2.876
local terms energy: -728.601177
where:
bonds (distance) C4'-P energy: -128.685
bonds (distance) P-C4' energy: -137.120
flat angles C4'-P-C4' energy: -155.243
flat angles P-C4'-P energy: -99.312
tors. eta vs tors. theta energy: -208.241
Dist. restrs. and SS energy: 6.043 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -2353.270630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2353.270630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2361.003581 (E_RNA)
where:
Base-Base interactions energy: -1654.727
where: short stacking energy: -683.885
Base-Backbone interact. energy: -2.380
local terms energy: -703.897110
where:
bonds (distance) C4'-P energy: -120.126
bonds (distance) P-C4' energy: -116.910
flat angles C4'-P-C4' energy: -158.339
flat angles P-C4'-P energy: -102.679
tors. eta vs tors. theta energy: -205.843
Dist. restrs. and SS energy: 7.733 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -2215.136367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2215.136367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2232.715221 (E_RNA)
where:
Base-Base interactions energy: -1566.505
where: short stacking energy: -644.592
Base-Backbone interact. energy: -0.949
local terms energy: -665.260762
where:
bonds (distance) C4'-P energy: -121.552
bonds (distance) P-C4' energy: -121.588
flat angles C4'-P-C4' energy: -139.527
flat angles P-C4'-P energy: -91.173
tors. eta vs tors. theta energy: -191.421
Dist. restrs. and SS energy: 17.579 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -2055.600823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2055.600823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2072.958996 (E_RNA)
where:
Base-Base interactions energy: -1474.486
where: short stacking energy: -601.848
Base-Backbone interact. energy: -4.160
local terms energy: -594.313339
where:
bonds (distance) C4'-P energy: -121.707
bonds (distance) P-C4' energy: -108.823
flat angles C4'-P-C4' energy: -125.122
flat angles P-C4'-P energy: -80.419
tors. eta vs tors. theta energy: -158.242
Dist. restrs. and SS energy: 17.358 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -2047.364333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2047.364333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2070.905983 (E_RNA)
where:
Base-Base interactions energy: -1445.119
where: short stacking energy: -628.235
Base-Backbone interact. energy: -2.704
local terms energy: -623.082873
where:
bonds (distance) C4'-P energy: -109.006
bonds (distance) P-C4' energy: -123.350
flat angles C4'-P-C4' energy: -130.311
flat angles P-C4'-P energy: -80.665
tors. eta vs tors. theta energy: -179.751
Dist. restrs. and SS energy: 23.542 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -1982.133043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1982.133043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2000.274641 (E_RNA)
where:
Base-Base interactions energy: -1386.101
where: short stacking energy: -583.247
Base-Backbone interact. energy: 3.315
local terms energy: -617.488143
where:
bonds (distance) C4'-P energy: -125.290
bonds (distance) P-C4' energy: -120.858
flat angles C4'-P-C4' energy: -125.071
flat angles P-C4'-P energy: -90.255
tors. eta vs tors. theta energy: -156.014
Dist. restrs. and SS energy: 18.142 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -2786.372687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2786.372687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2787.875163 (E_RNA)
where:
Base-Base interactions energy: -1950.103
where: short stacking energy: -825.430
Base-Backbone interact. energy: -1.253
local terms energy: -836.518804
where:
bonds (distance) C4'-P energy: -156.131
bonds (distance) P-C4' energy: -145.898
flat angles C4'-P-C4' energy: -169.153
flat angles P-C4'-P energy: -111.996
tors. eta vs tors. theta energy: -253.341
Dist. restrs. and SS energy: 1.502 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -2700.881750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2700.881750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2704.807030 (E_RNA)
where:
Base-Base interactions energy: -1888.180
where: short stacking energy: -801.815
Base-Backbone interact. energy: -2.256
local terms energy: -814.371021
where:
bonds (distance) C4'-P energy: -144.521
bonds (distance) P-C4' energy: -149.968
flat angles C4'-P-C4' energy: -162.822
flat angles P-C4'-P energy: -118.835
tors. eta vs tors. theta energy: -238.224
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: 3, replica: 5
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -2637.499550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2637.499550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2644.182644 (E_RNA)
where:
Base-Base interactions energy: -1864.256
where: short stacking energy: -798.631
Base-Backbone interact. energy: -2.508
local terms energy: -777.419114
where:
bonds (distance) C4'-P energy: -134.290
bonds (distance) P-C4' energy: -135.428
flat angles C4'-P-C4' energy: -161.075
flat angles P-C4'-P energy: -93.999
tors. eta vs tors. theta energy: -252.627
Dist. restrs. and SS energy: 6.683 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -2493.680821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2493.680821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2498.846690 (E_RNA)
where:
Base-Base interactions energy: -1743.950
where: short stacking energy: -734.550
Base-Backbone interact. energy: -4.250
local terms energy: -750.646687
where:
bonds (distance) C4'-P energy: -113.921
bonds (distance) P-C4' energy: -141.644
flat angles C4'-P-C4' energy: -170.583
flat angles P-C4'-P energy: -108.002
tors. eta vs tors. theta energy: -216.495
Dist. restrs. and SS energy: 5.166 (S_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: 294
Temperature: 1.100000
Total energy: -2399.290819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2399.290819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2406.713825 (E_RNA)
where:
Base-Base interactions energy: -1685.987
where: short stacking energy: -708.789
Base-Backbone interact. energy: -2.804
local terms energy: -717.923056
where:
bonds (distance) C4'-P energy: -137.585
bonds (distance) P-C4' energy: -131.786
flat angles C4'-P-C4' energy: -147.574
flat angles P-C4'-P energy: -106.011
tors. eta vs tors. theta energy: -194.968
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: 6, replica: 7
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -2361.291945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2361.291945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2371.256406 (E_RNA)
where:
Base-Base interactions energy: -1703.201
where: short stacking energy: -698.583
Base-Backbone interact. energy: 4.460
local terms energy: -672.514858
where:
bonds (distance) C4'-P energy: -102.392
bonds (distance) P-C4' energy: -111.106
flat angles C4'-P-C4' energy: -153.103
flat angles P-C4'-P energy: -93.293
tors. eta vs tors. theta energy: -212.621
Dist. restrs. and SS energy: 9.964 (S_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: 294
Temperature: 1.200000
Total energy: -2221.360709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2221.360709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2234.447868 (E_RNA)
where:
Base-Base interactions energy: -1578.038
where: short stacking energy: -650.230
Base-Backbone interact. energy: -1.173
local terms energy: -655.237439
where:
bonds (distance) C4'-P energy: -107.294
bonds (distance) P-C4' energy: -129.593
flat angles C4'-P-C4' energy: -145.362
flat angles P-C4'-P energy: -85.966
tors. eta vs tors. theta energy: -187.023
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: 8, replica: 1
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -2114.830357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2114.830357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2133.875939 (E_RNA)
where:
Base-Base interactions energy: -1483.251
where: short stacking energy: -617.004
Base-Backbone interact. energy: 0.404
local terms energy: -651.029424
where:
bonds (distance) C4'-P energy: -111.897
bonds (distance) P-C4' energy: -138.614
flat angles C4'-P-C4' energy: -147.748
flat angles P-C4'-P energy: -68.648
tors. eta vs tors. theta energy: -184.122
Dist. restrs. and SS energy: 19.046 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -2028.889017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2028.889017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2053.971664 (E_RNA)
where:
Base-Base interactions energy: -1419.225
where: short stacking energy: -600.554
Base-Backbone interact. energy: 1.832
local terms energy: -636.578199
where:
bonds (distance) C4'-P energy: -119.899
bonds (distance) P-C4' energy: -132.350
flat angles C4'-P-C4' energy: -145.099
flat angles P-C4'-P energy: -78.320
tors. eta vs tors. theta energy: -160.910
Dist. restrs. and SS energy: 25.083 (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: 9
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -2006.479898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2006.479898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2020.352232 (E_RNA)
where:
Base-Base interactions energy: -1447.259
where: short stacking energy: -581.673
Base-Backbone interact. energy: -0.045
local terms energy: -573.048626
where:
bonds (distance) C4'-P energy: -105.546
bonds (distance) P-C4' energy: -119.044
flat angles C4'-P-C4' energy: -134.058
flat angles P-C4'-P energy: -70.465
tors. eta vs tors. theta energy: -143.934
Dist. restrs. and SS energy: 13.872 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -2778.126190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2778.126190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2781.979638 (E_RNA)
where:
Base-Base interactions energy: -1949.159
where: short stacking energy: -833.209
Base-Backbone interact. energy: -0.415
local terms energy: -832.405414
where:
bonds (distance) C4'-P energy: -137.576
bonds (distance) P-C4' energy: -155.383
flat angles C4'-P-C4' energy: -171.363
flat angles P-C4'-P energy: -128.911
tors. eta vs tors. theta energy: -239.171
Dist. restrs. and SS energy: 3.853 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -2700.580322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2700.580322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2704.145544 (E_RNA)
where:
Base-Base interactions energy: -1903.800
where: short stacking energy: -774.596
Base-Backbone interact. energy: -0.344
local terms energy: -800.001570
where:
bonds (distance) C4'-P energy: -136.314
bonds (distance) P-C4' energy: -144.890
flat angles C4'-P-C4' energy: -174.732
flat angles P-C4'-P energy: -112.778
tors. eta vs tors. theta energy: -231.287
Dist. restrs. and SS energy: 3.565 (S_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: 295
Temperature: 1.000000
Total energy: -2650.983414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2650.983414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2655.344117 (E_RNA)
where:
Base-Base interactions energy: -1879.472
where: short stacking energy: -793.256
Base-Backbone interact. energy: -2.572
local terms energy: -773.300601
where:
bonds (distance) C4'-P energy: -127.530
bonds (distance) P-C4' energy: -127.827
flat angles C4'-P-C4' energy: -173.101
flat angles P-C4'-P energy: -105.681
tors. eta vs tors. theta energy: -239.162
Dist. restrs. and SS energy: 4.361 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -2464.181388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2464.181388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2471.679648 (E_RNA)
where:
Base-Base interactions energy: -1746.845
where: short stacking energy: -736.748
Base-Backbone interact. energy: 2.883
local terms energy: -727.718376
where:
bonds (distance) C4'-P energy: -132.527
bonds (distance) P-C4' energy: -139.694
flat angles C4'-P-C4' energy: -151.514
flat angles P-C4'-P energy: -92.512
tors. eta vs tors. theta energy: -211.473
Dist. restrs. and SS energy: 7.498 (S_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: 295
Temperature: 1.100000
Total energy: -2409.546116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2409.546116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2415.860896 (E_RNA)
where:
Base-Base interactions energy: -1678.467
where: short stacking energy: -703.501
Base-Backbone interact. energy: -2.720
local terms energy: -734.673784
where:
bonds (distance) C4'-P energy: -110.452
bonds (distance) P-C4' energy: -152.627
flat angles C4'-P-C4' energy: -164.495
flat angles P-C4'-P energy: -96.869
tors. eta vs tors. theta energy: -210.231
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: 6, replica: 7
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -2345.112543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2345.112543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2355.676376 (E_RNA)
where:
Base-Base interactions energy: -1647.529
where: short stacking energy: -694.459
Base-Backbone interact. energy: 6.333
local terms energy: -714.480956
where:
bonds (distance) C4'-P energy: -126.160
bonds (distance) P-C4' energy: -117.757
flat angles C4'-P-C4' energy: -141.993
flat angles P-C4'-P energy: -114.672
tors. eta vs tors. theta energy: -213.899
Dist. restrs. and SS energy: 10.564 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -2228.143109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2228.143109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2242.451933 (E_RNA)
where:
Base-Base interactions energy: -1541.461
where: short stacking energy: -655.574
Base-Backbone interact. energy: 1.469
local terms energy: -702.460014
where:
bonds (distance) C4'-P energy: -121.748
bonds (distance) P-C4' energy: -133.767
flat angles C4'-P-C4' energy: -159.133
flat angles P-C4'-P energy: -92.343
tors. eta vs tors. theta energy: -195.469
Dist. restrs. and SS energy: 14.309 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -2162.621024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2162.621024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2181.655415 (E_RNA)
where:
Base-Base interactions energy: -1516.672
where: short stacking energy: -632.478
Base-Backbone interact. energy: -2.292
local terms energy: -662.692113
where:
bonds (distance) C4'-P energy: -121.803
bonds (distance) P-C4' energy: -117.338
flat angles C4'-P-C4' energy: -144.920
flat angles P-C4'-P energy: -89.483
tors. eta vs tors. theta energy: -189.148
Dist. restrs. and SS energy: 19.034 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -2054.047645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2054.047645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2067.347213 (E_RNA)
where:
Base-Base interactions energy: -1426.778
where: short stacking energy: -610.025
Base-Backbone interact. energy: -3.071
local terms energy: -637.498071
where:
bonds (distance) C4'-P energy: -110.763
bonds (distance) P-C4' energy: -132.326
flat angles C4'-P-C4' energy: -143.196
flat angles P-C4'-P energy: -82.121
tors. eta vs tors. theta energy: -169.092
Dist. restrs. and SS energy: 13.300 (S_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: 295
Temperature: 1.350000
Total energy: -1916.411227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.411227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1936.615107 (E_RNA)
where:
Base-Base interactions energy: -1371.141
where: short stacking energy: -550.971
Base-Backbone interact. energy: 2.678
local terms energy: -568.151824
where:
bonds (distance) C4'-P energy: -82.014
bonds (distance) P-C4' energy: -111.626
flat angles C4'-P-C4' energy: -136.542
flat angles P-C4'-P energy: -76.575
tors. eta vs tors. theta energy: -161.395
Dist. restrs. and SS energy: 20.204 (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: 2
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -2819.674079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2819.674079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2822.893038 (E_RNA)
where:
Base-Base interactions energy: -1983.439
where: short stacking energy: -816.933
Base-Backbone interact. energy: -3.590
local terms energy: -835.863641
where:
bonds (distance) C4'-P energy: -145.584
bonds (distance) P-C4' energy: -159.683
flat angles C4'-P-C4' energy: -150.480
flat angles P-C4'-P energy: -129.068
tors. eta vs tors. theta energy: -251.049
Dist. restrs. and SS energy: 3.219 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -2689.082462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2689.082462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2692.651673 (E_RNA)
where:
Base-Base interactions energy: -1884.483
where: short stacking energy: -776.457
Base-Backbone interact. energy: -2.006
local terms energy: -806.162112
where:
bonds (distance) C4'-P energy: -147.063
bonds (distance) P-C4' energy: -133.659
flat angles C4'-P-C4' energy: -170.461
flat angles P-C4'-P energy: -120.610
tors. eta vs tors. theta energy: -234.369
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: 3, replica: 5
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -2628.391033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2628.391033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2630.819474 (E_RNA)
where:
Base-Base interactions energy: -1864.515
where: short stacking energy: -788.721
Base-Backbone interact. energy: -0.765
local terms energy: -765.539560
where:
bonds (distance) C4'-P energy: -127.959
bonds (distance) P-C4' energy: -131.387
flat angles C4'-P-C4' energy: -164.379
flat angles P-C4'-P energy: -107.394
tors. eta vs tors. theta energy: -234.421
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: 4, replica: 10
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -2461.107324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2461.107324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2468.897481 (E_RNA)
where:
Base-Base interactions energy: -1718.073
where: short stacking energy: -715.117
Base-Backbone interact. energy: -3.402
local terms energy: -747.422831
where:
bonds (distance) C4'-P energy: -128.832
bonds (distance) P-C4' energy: -139.067
flat angles C4'-P-C4' energy: -166.964
flat angles P-C4'-P energy: -99.611
tors. eta vs tors. theta energy: -212.948
Dist. restrs. and SS energy: 7.790 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -2431.295970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2431.295970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2441.287266 (E_RNA)
where:
Base-Base interactions energy: -1718.047
where: short stacking energy: -708.014
Base-Backbone interact. energy: -1.621
local terms energy: -721.618929
where:
bonds (distance) C4'-P energy: -134.128
bonds (distance) P-C4' energy: -104.448
flat angles C4'-P-C4' energy: -162.467
flat angles P-C4'-P energy: -112.698
tors. eta vs tors. theta energy: -207.879
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: 6, replica: 3
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -2347.406214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2347.406214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2357.124129 (E_RNA)
where:
Base-Base interactions energy: -1635.447
where: short stacking energy: -674.838
Base-Backbone interact. energy: -0.117
local terms energy: -721.560263
where:
bonds (distance) C4'-P energy: -117.467
bonds (distance) P-C4' energy: -130.591
flat angles C4'-P-C4' energy: -159.887
flat angles P-C4'-P energy: -111.032
tors. eta vs tors. theta energy: -202.583
Dist. restrs. and SS energy: 9.718 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -2234.805817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2234.805817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2251.130538 (E_RNA)
where:
Base-Base interactions energy: -1565.459
where: short stacking energy: -644.230
Base-Backbone interact. energy: -2.348
local terms energy: -683.323468
where:
bonds (distance) C4'-P energy: -127.627
bonds (distance) P-C4' energy: -120.235
flat angles C4'-P-C4' energy: -144.750
flat angles P-C4'-P energy: -101.377
tors. eta vs tors. theta energy: -189.335
Dist. restrs. and SS energy: 16.325 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -2179.377449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2179.377449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2197.563165 (E_RNA)
where:
Base-Base interactions energy: -1516.038
where: short stacking energy: -640.270
Base-Backbone interact. energy: -1.746
local terms energy: -679.779020
where:
bonds (distance) C4'-P energy: -111.947
bonds (distance) P-C4' energy: -135.492
flat angles C4'-P-C4' energy: -149.522
flat angles P-C4'-P energy: -92.358
tors. eta vs tors. theta energy: -190.459
Dist. restrs. and SS energy: 18.186 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -1983.399230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1983.399230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1998.504517 (E_RNA)
where:
Base-Base interactions energy: -1409.919
where: short stacking energy: -543.263
Base-Backbone interact. energy: -1.631
local terms energy: -586.954831
where:
bonds (distance) C4'-P energy: -112.307
bonds (distance) P-C4' energy: -119.929
flat angles C4'-P-C4' energy: -119.264
flat angles P-C4'-P energy: -89.883
tors. eta vs tors. theta energy: -145.572
Dist. restrs. and SS energy: 15.105 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -2031.732479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2031.732479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2047.768178 (E_RNA)
where:
Base-Base interactions energy: -1432.432
where: short stacking energy: -576.885
Base-Backbone interact. energy: -3.048
local terms energy: -612.287931
where:
bonds (distance) C4'-P energy: -106.542
bonds (distance) P-C4' energy: -109.139
flat angles C4'-P-C4' energy: -145.725
flat angles P-C4'-P energy: -78.169
tors. eta vs tors. theta energy: -172.712
Dist. restrs. and SS energy: 16.036 (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: 2
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -2821.891809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2821.891809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2825.054528 (E_RNA)
where:
Base-Base interactions energy: -1964.167
where: short stacking energy: -823.991
Base-Backbone interact. energy: -2.083
local terms energy: -858.804410
where:
bonds (distance) C4'-P energy: -152.101
bonds (distance) P-C4' energy: -152.755
flat angles C4'-P-C4' energy: -181.074
flat angles P-C4'-P energy: -123.206
tors. eta vs tors. theta energy: -249.667
Dist. restrs. and SS energy: 3.163 (S_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: 297
Temperature: 0.950000
Total energy: -2686.380774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2686.380774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2690.631511 (E_RNA)
where:
Base-Base interactions energy: -1857.798
where: short stacking energy: -792.153
Base-Backbone interact. energy: -4.707
local terms energy: -828.125974
where:
bonds (distance) C4'-P energy: -142.717
bonds (distance) P-C4' energy: -159.016
flat angles C4'-P-C4' energy: -173.315
flat angles P-C4'-P energy: -109.746
tors. eta vs tors. theta energy: -243.332
Dist. restrs. and SS energy: 4.251 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -2628.333075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2628.333075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2636.101991 (E_RNA)
where:
Base-Base interactions energy: -1857.492
where: short stacking energy: -775.797
Base-Backbone interact. energy: -3.269
local terms energy: -775.341375
where:
bonds (distance) C4'-P energy: -135.096
bonds (distance) P-C4' energy: -150.282
flat angles C4'-P-C4' energy: -158.933
flat angles P-C4'-P energy: -113.580
tors. eta vs tors. theta energy: -217.450
Dist. restrs. and SS energy: 7.769 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -2469.820368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2469.820368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2480.030077 (E_RNA)
where:
Base-Base interactions energy: -1707.945
where: short stacking energy: -711.989
Base-Backbone interact. energy: -2.841
local terms energy: -769.244242
where:
bonds (distance) C4'-P energy: -126.009
bonds (distance) P-C4' energy: -134.399
flat angles C4'-P-C4' energy: -166.195
flat angles P-C4'-P energy: -114.402
tors. eta vs tors. theta energy: -228.239
Dist. restrs. and SS energy: 10.210 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -2398.574338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2398.574338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2408.056174 (E_RNA)
where:
Base-Base interactions energy: -1687.155
where: short stacking energy: -702.605
Base-Backbone interact. energy: 0.968
local terms energy: -721.869259
where:
bonds (distance) C4'-P energy: -124.632
bonds (distance) P-C4' energy: -128.088
flat angles C4'-P-C4' energy: -158.443
flat angles P-C4'-P energy: -98.695
tors. eta vs tors. theta energy: -212.012
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: 6, replica: 3
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -2355.742154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2355.742154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2362.768651 (E_RNA)
where:
Base-Base interactions energy: -1664.747
where: short stacking energy: -702.492
Base-Backbone interact. energy: 0.823
local terms energy: -698.844449
where:
bonds (distance) C4'-P energy: -124.853
bonds (distance) P-C4' energy: -130.410
flat angles C4'-P-C4' energy: -148.429
flat angles P-C4'-P energy: -84.080
tors. eta vs tors. theta energy: -211.072
Dist. restrs. and SS energy: 7.026 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -2218.657445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2218.657445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2229.662054 (E_RNA)
where:
Base-Base interactions energy: -1539.131
where: short stacking energy: -638.719
Base-Backbone interact. energy: -2.471
local terms energy: -688.060361
where:
bonds (distance) C4'-P energy: -120.532
bonds (distance) P-C4' energy: -140.581
flat angles C4'-P-C4' energy: -148.679
flat angles P-C4'-P energy: -89.631
tors. eta vs tors. theta energy: -188.638
Dist. restrs. and SS energy: 11.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -2170.205412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2170.205412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2190.829204 (E_RNA)
where:
Base-Base interactions energy: -1518.344
where: short stacking energy: -637.445
Base-Backbone interact. energy: -1.029
local terms energy: -671.456401
where:
bonds (distance) C4'-P energy: -113.460
bonds (distance) P-C4' energy: -126.815
flat angles C4'-P-C4' energy: -153.356
flat angles P-C4'-P energy: -89.283
tors. eta vs tors. theta energy: -188.542
Dist. restrs. and SS energy: 20.624 (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: 9
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -2000.285890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.285890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2019.019471 (E_RNA)
where:
Base-Base interactions energy: -1423.618
where: short stacking energy: -570.187
Base-Backbone interact. energy: 0.084
local terms energy: -595.485072
where:
bonds (distance) C4'-P energy: -118.784
bonds (distance) P-C4' energy: -110.592
flat angles C4'-P-C4' energy: -124.431
flat angles P-C4'-P energy: -80.054
tors. eta vs tors. theta energy: -161.624
Dist. restrs. and SS energy: 18.734 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -1971.625915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1971.625915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1989.280544 (E_RNA)
where:
Base-Base interactions energy: -1391.585
where: short stacking energy: -557.373
Base-Backbone interact. energy: -0.216
local terms energy: -597.479555
where:
bonds (distance) C4'-P energy: -127.044
bonds (distance) P-C4' energy: -99.745
flat angles C4'-P-C4' energy: -114.827
flat angles P-C4'-P energy: -94.925
tors. eta vs tors. theta energy: -160.939
Dist. restrs. and SS energy: 17.655 (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: 2
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -2803.449448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2803.449448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2807.010148 (E_RNA)
where:
Base-Base interactions energy: -1984.129
where: short stacking energy: -838.689
Base-Backbone interact. energy: -1.101
local terms energy: -821.780465
where:
bonds (distance) C4'-P energy: -140.671
bonds (distance) P-C4' energy: -144.369
flat angles C4'-P-C4' energy: -176.829
flat angles P-C4'-P energy: -106.773
tors. eta vs tors. theta energy: -253.138
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: 2, replica: 5
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -2656.712404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2656.712404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2660.835536 (E_RNA)
where:
Base-Base interactions energy: -1874.098
where: short stacking energy: -787.307
Base-Backbone interact. energy: -0.774
local terms energy: -785.963318
where:
bonds (distance) C4'-P energy: -132.885
bonds (distance) P-C4' energy: -141.224
flat angles C4'-P-C4' energy: -164.878
flat angles P-C4'-P energy: -107.346
tors. eta vs tors. theta energy: -239.630
Dist. restrs. and SS energy: 4.123 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -2647.610406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2647.610406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2651.429718 (E_RNA)
where:
Base-Base interactions energy: -1865.721
where: short stacking energy: -775.233
Base-Backbone interact. energy: -1.693
local terms energy: -784.014991
where:
bonds (distance) C4'-P energy: -139.388
bonds (distance) P-C4' energy: -136.396
flat angles C4'-P-C4' energy: -166.828
flat angles P-C4'-P energy: -117.643
tors. eta vs tors. theta energy: -223.759
Dist. restrs. and SS energy: 3.819 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -2488.356298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2488.356298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2496.165587 (E_RNA)
where:
Base-Base interactions energy: -1756.059
where: short stacking energy: -739.107
Base-Backbone interact. energy: -2.470
local terms energy: -737.635863
where:
bonds (distance) C4'-P energy: -132.246
bonds (distance) P-C4' energy: -128.969
flat angles C4'-P-C4' energy: -158.198
flat angles P-C4'-P energy: -94.114
tors. eta vs tors. theta energy: -224.110
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: 5, replica: 7
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -2420.628605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2420.628605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2430.165843 (E_RNA)
where:
Base-Base interactions energy: -1686.888
where: short stacking energy: -714.948
Base-Backbone interact. energy: 2.446
local terms energy: -745.724041
where:
bonds (distance) C4'-P energy: -135.791
bonds (distance) P-C4' energy: -136.758
flat angles C4'-P-C4' energy: -147.716
flat angles P-C4'-P energy: -107.724
tors. eta vs tors. theta energy: -217.735
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: 6, replica: 3
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -2357.846186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2357.846186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2366.235563 (E_RNA)
where:
Base-Base interactions energy: -1654.485
where: short stacking energy: -692.792
Base-Backbone interact. energy: -2.873
local terms energy: -708.877403
where:
bonds (distance) C4'-P energy: -112.943
bonds (distance) P-C4' energy: -132.709
flat angles C4'-P-C4' energy: -156.124
flat angles P-C4'-P energy: -108.758
tors. eta vs tors. theta energy: -198.343
Dist. restrs. and SS energy: 8.389 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -2251.892924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2251.892924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2261.398886 (E_RNA)
where:
Base-Base interactions energy: -1608.623
where: short stacking energy: -642.139
Base-Backbone interact. energy: -1.299
local terms energy: -651.476972
where:
bonds (distance) C4'-P energy: -96.884
bonds (distance) P-C4' energy: -138.654
flat angles C4'-P-C4' energy: -160.084
flat angles P-C4'-P energy: -80.086
tors. eta vs tors. theta energy: -175.769
Dist. restrs. and SS energy: 9.506 (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: 4
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -2256.517849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2256.517849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2269.968605 (E_RNA)
where:
Base-Base interactions energy: -1588.672
where: short stacking energy: -669.741
Base-Backbone interact. energy: -2.883
local terms energy: -678.413124
where:
bonds (distance) C4'-P energy: -117.970
bonds (distance) P-C4' energy: -98.480
flat angles C4'-P-C4' energy: -148.801
flat angles P-C4'-P energy: -108.029
tors. eta vs tors. theta energy: -205.134
Dist. restrs. and SS energy: 13.451 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -2013.364887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2013.364887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2032.375504 (E_RNA)
where:
Base-Base interactions energy: -1396.102
where: short stacking energy: -582.912
Base-Backbone interact. energy: -6.714
local terms energy: -629.559216
where:
bonds (distance) C4'-P energy: -109.277
bonds (distance) P-C4' energy: -128.327
flat angles C4'-P-C4' energy: -134.937
flat angles P-C4'-P energy: -87.574
tors. eta vs tors. theta energy: -169.444
Dist. restrs. and SS energy: 19.011 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -2023.440222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2023.440222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2045.650330 (E_RNA)
where:
Base-Base interactions energy: -1444.008
where: short stacking energy: -595.927
Base-Backbone interact. energy: -0.952
local terms energy: -600.690967
where:
bonds (distance) C4'-P energy: -98.548
bonds (distance) P-C4' energy: -115.448
flat angles C4'-P-C4' energy: -147.272
flat angles P-C4'-P energy: -78.064
tors. eta vs tors. theta energy: -161.360
Dist. restrs. and SS energy: 22.210 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -2802.575048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2802.575048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2805.255538 (E_RNA)
where:
Base-Base interactions energy: -1968.129
where: short stacking energy: -819.388
Base-Backbone interact. energy: -2.384
local terms energy: -834.742062
where:
bonds (distance) C4'-P energy: -143.178
bonds (distance) P-C4' energy: -151.708
flat angles C4'-P-C4' energy: -172.154
flat angles P-C4'-P energy: -112.725
tors. eta vs tors. theta energy: -254.977
Dist. restrs. and SS energy: 2.680 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -2704.253913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2704.253913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2707.825613 (E_RNA)
where:
Base-Base interactions energy: -1917.992
where: short stacking energy: -829.793
Base-Backbone interact. energy: -3.063
local terms energy: -786.770233
where:
bonds (distance) C4'-P energy: -139.862
bonds (distance) P-C4' energy: -134.962
flat angles C4'-P-C4' energy: -171.678
flat angles P-C4'-P energy: -106.703
tors. eta vs tors. theta energy: -233.565
Dist. restrs. and SS energy: 3.572 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -2614.643312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2614.643312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2619.031394 (E_RNA)
where:
Base-Base interactions energy: -1837.319
where: short stacking energy: -782.177
Base-Backbone interact. energy: 1.749
local terms energy: -783.460949
where:
bonds (distance) C4'-P energy: -146.443
bonds (distance) P-C4' energy: -137.749
flat angles C4'-P-C4' energy: -160.411
flat angles P-C4'-P energy: -107.380
tors. eta vs tors. theta energy: -231.478
Dist. restrs. and SS energy: 4.388 (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: 10
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -2482.068134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2482.068134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2489.790453 (E_RNA)
where:
Base-Base interactions energy: -1741.499
where: short stacking energy: -731.800
Base-Backbone interact. energy: 0.896
local terms energy: -749.187548
where:
bonds (distance) C4'-P energy: -112.428
bonds (distance) P-C4' energy: -131.504
flat angles C4'-P-C4' energy: -158.817
flat angles P-C4'-P energy: -105.651
tors. eta vs tors. theta energy: -240.788
Dist. restrs. and SS energy: 7.722 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -2445.700827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2445.700827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2458.831251 (E_RNA)
where:
Base-Base interactions energy: -1724.812
where: short stacking energy: -758.595
Base-Backbone interact. energy: 0.492
local terms energy: -734.510942
where:
bonds (distance) C4'-P energy: -132.710
bonds (distance) P-C4' energy: -137.659
flat angles C4'-P-C4' energy: -151.470
flat angles P-C4'-P energy: -86.594
tors. eta vs tors. theta energy: -226.079
Dist. restrs. and SS energy: 13.130 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -2339.069907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2339.069907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2347.726210 (E_RNA)
where:
Base-Base interactions energy: -1650.503
where: short stacking energy: -669.707
Base-Backbone interact. energy: -0.673
local terms energy: -696.550118
where:
bonds (distance) C4'-P energy: -119.091
bonds (distance) P-C4' energy: -127.125
flat angles C4'-P-C4' energy: -146.704
flat angles P-C4'-P energy: -105.369
tors. eta vs tors. theta energy: -198.261
Dist. restrs. and SS energy: 8.656 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -2208.878807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2208.878807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2221.871341 (E_RNA)
where:
Base-Base interactions energy: -1576.305
where: short stacking energy: -624.808
Base-Backbone interact. energy: 0.496
local terms energy: -646.062710
where:
bonds (distance) C4'-P energy: -121.316
bonds (distance) P-C4' energy: -113.610
flat angles C4'-P-C4' energy: -136.394
flat angles P-C4'-P energy: -93.326
tors. eta vs tors. theta energy: -181.417
Dist. restrs. and SS energy: 12.993 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -2277.813895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2277.813895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2288.508256 (E_RNA)
where:
Base-Base interactions energy: -1620.688
where: short stacking energy: -667.679
Base-Backbone interact. energy: 1.232
local terms energy: -669.052173
where:
bonds (distance) C4'-P energy: -107.156
bonds (distance) P-C4' energy: -120.222
flat angles C4'-P-C4' energy: -135.188
flat angles P-C4'-P energy: -95.833
tors. eta vs tors. theta energy: -210.653
Dist. restrs. and SS energy: 10.694 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -2086.699629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2086.699629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2101.908064 (E_RNA)
where:
Base-Base interactions energy: -1487.879
where: short stacking energy: -623.849
Base-Backbone interact. energy: 0.279
local terms energy: -614.307850
where:
bonds (distance) C4'-P energy: -103.054
bonds (distance) P-C4' energy: -103.183
flat angles C4'-P-C4' energy: -138.121
flat angles P-C4'-P energy: -88.137
tors. eta vs tors. theta energy: -181.813
Dist. restrs. and SS energy: 15.208 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -2028.513720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2028.513720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2043.868021 (E_RNA)
where:
Base-Base interactions energy: -1422.169
where: short stacking energy: -585.768
Base-Backbone interact. energy: -3.690
local terms energy: -618.008494
where:
bonds (distance) C4'-P energy: -111.782
bonds (distance) P-C4' energy: -112.251
flat angles C4'-P-C4' energy: -134.369
flat angles P-C4'-P energy: -86.318
tors. eta vs tors. theta energy: -173.289
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: 1, replica: 2
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -2816.094768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2816.094768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2818.262867 (E_RNA)
where:
Base-Base interactions energy: -1997.610
where: short stacking energy: -840.377
Base-Backbone interact. energy: -0.232
local terms energy: -820.421050
where:
bonds (distance) C4'-P energy: -125.943
bonds (distance) P-C4' energy: -150.392
flat angles C4'-P-C4' energy: -177.351
flat angles P-C4'-P energy: -112.425
tors. eta vs tors. theta energy: -254.309
Dist. restrs. and SS energy: 2.168 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -2715.299586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2715.299586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2718.865894 (E_RNA)
where:
Base-Base interactions energy: -1919.151
where: short stacking energy: -812.577
Base-Backbone interact. energy: -1.653
local terms energy: -798.061344
where:
bonds (distance) C4'-P energy: -135.537
bonds (distance) P-C4' energy: -133.092
flat angles C4'-P-C4' energy: -170.575
flat angles P-C4'-P energy: -123.671
tors. eta vs tors. theta energy: -235.186
Dist. restrs. and SS energy: 3.566 (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: 5
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -2613.104143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2613.104143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2617.880956 (E_RNA)
where:
Base-Base interactions energy: -1873.889
where: short stacking energy: -805.952
Base-Backbone interact. energy: -1.982
local terms energy: -742.009595
where:
bonds (distance) C4'-P energy: -119.713
bonds (distance) P-C4' energy: -127.197
flat angles C4'-P-C4' energy: -150.322
flat angles P-C4'-P energy: -113.470
tors. eta vs tors. theta energy: -231.307
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: 4, replica: 10
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -2503.499956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2503.499956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2509.983681 (E_RNA)
where:
Base-Base interactions energy: -1766.382
where: short stacking energy: -732.134
Base-Backbone interact. energy: -2.424
local terms energy: -741.177709
where:
bonds (distance) C4'-P energy: -132.262
bonds (distance) P-C4' energy: -122.188
flat angles C4'-P-C4' energy: -161.883
flat angles P-C4'-P energy: -107.393
tors. eta vs tors. theta energy: -217.451
Dist. restrs. and SS energy: 6.484 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -2430.034055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2430.034055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2439.338533 (E_RNA)
where:
Base-Base interactions energy: -1704.187
where: short stacking energy: -700.847
Base-Backbone interact. energy: -0.141
local terms energy: -735.011001
where:
bonds (distance) C4'-P energy: -127.221
bonds (distance) P-C4' energy: -143.054
flat angles C4'-P-C4' energy: -153.949
flat angles P-C4'-P energy: -101.798
tors. eta vs tors. theta energy: -208.989
Dist. restrs. and SS energy: 9.304 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -2399.928684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2399.928684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2412.722103 (E_RNA)
where:
Base-Base interactions energy: -1690.890
where: short stacking energy: -727.307
Base-Backbone interact. energy: -0.848
local terms energy: -720.984415
where:
bonds (distance) C4'-P energy: -116.798
bonds (distance) P-C4' energy: -134.049
flat angles C4'-P-C4' energy: -156.883
flat angles P-C4'-P energy: -102.738
tors. eta vs tors. theta energy: -210.516
Dist. restrs. and SS energy: 12.793 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -2272.173166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2272.173166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2281.789183 (E_RNA)
where:
Base-Base interactions energy: -1608.863
where: short stacking energy: -683.118
Base-Backbone interact. energy: -1.295
local terms energy: -671.630841
where:
bonds (distance) C4'-P energy: -134.147
bonds (distance) P-C4' energy: -115.961
flat angles C4'-P-C4' energy: -139.673
flat angles P-C4'-P energy: -78.578
tors. eta vs tors. theta energy: -203.272
Dist. restrs. and SS energy: 9.616 (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: 4
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -2190.985027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2190.985027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2208.115428 (E_RNA)
where:
Base-Base interactions energy: -1560.182
where: short stacking energy: -636.428
Base-Backbone interact. energy: 0.543
local terms energy: -648.476731
where:
bonds (distance) C4'-P energy: -124.458
bonds (distance) P-C4' energy: -113.191
flat angles C4'-P-C4' energy: -138.167
flat angles P-C4'-P energy: -80.085
tors. eta vs tors. theta energy: -192.576
Dist. restrs. and SS energy: 17.130 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -2040.861690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2040.861690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2062.718179 (E_RNA)
where:
Base-Base interactions energy: -1445.728
where: short stacking energy: -602.948
Base-Backbone interact. energy: 0.538
local terms energy: -617.529013
where:
bonds (distance) C4'-P energy: -117.976
bonds (distance) P-C4' energy: -119.944
flat angles C4'-P-C4' energy: -126.941
flat angles P-C4'-P energy: -82.523
tors. eta vs tors. theta energy: -170.145
Dist. restrs. and SS energy: 21.856 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -1972.548476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.548476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1993.382524 (E_RNA)
where:
Base-Base interactions energy: -1410.825
where: short stacking energy: -572.214
Base-Backbone interact. energy: 1.561
local terms energy: -584.118476
where:
bonds (distance) C4'-P energy: -102.706
bonds (distance) P-C4' energy: -102.254
flat angles C4'-P-C4' energy: -139.173
flat angles P-C4'-P energy: -77.086
tors. eta vs tors. theta energy: -162.899
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: 2
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -2799.002052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2799.002052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2801.164496 (E_RNA)
where:
Base-Base interactions energy: -1964.407
where: short stacking energy: -822.506
Base-Backbone interact. energy: -2.283
local terms energy: -834.474233
where:
bonds (distance) C4'-P energy: -143.365
bonds (distance) P-C4' energy: -149.291
flat angles C4'-P-C4' energy: -169.124
flat angles P-C4'-P energy: -123.535
tors. eta vs tors. theta energy: -249.159
Dist. restrs. and SS energy: 2.162 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -2709.518830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2709.518830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2712.322560 (E_RNA)
where:
Base-Base interactions energy: -1892.598
where: short stacking energy: -801.305
Base-Backbone interact. energy: -2.843
local terms energy: -816.881965
where:
bonds (distance) C4'-P energy: -147.497
bonds (distance) P-C4' energy: -132.043
flat angles C4'-P-C4' energy: -168.462
flat angles P-C4'-P energy: -126.316
tors. eta vs tors. theta energy: -242.564
Dist. restrs. and SS energy: 2.804 (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: 5
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -2617.100384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2617.100384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2620.237275 (E_RNA)
where:
Base-Base interactions energy: -1819.930
where: short stacking energy: -749.026
Base-Backbone interact. energy: -2.217
local terms energy: -798.090609
where:
bonds (distance) C4'-P energy: -141.820
bonds (distance) P-C4' energy: -151.234
flat angles C4'-P-C4' energy: -163.196
flat angles P-C4'-P energy: -111.625
tors. eta vs tors. theta energy: -230.216
Dist. restrs. and SS energy: 3.137 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -2502.599824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2502.599824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2508.924562 (E_RNA)
where:
Base-Base interactions energy: -1758.816
where: short stacking energy: -752.855
Base-Backbone interact. energy: 0.622
local terms energy: -750.729993
where:
bonds (distance) C4'-P energy: -128.508
bonds (distance) P-C4' energy: -126.613
flat angles C4'-P-C4' energy: -167.655
flat angles P-C4'-P energy: -104.872
tors. eta vs tors. theta energy: -223.082
Dist. restrs. and SS energy: 6.325 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -2432.583938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2432.583938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2441.517545 (E_RNA)
where:
Base-Base interactions energy: -1709.560
where: short stacking energy: -714.779
Base-Backbone interact. energy: 3.859
local terms energy: -735.816877
where:
bonds (distance) C4'-P energy: -134.927
bonds (distance) P-C4' energy: -144.780
flat angles C4'-P-C4' energy: -147.116
flat angles P-C4'-P energy: -84.935
tors. eta vs tors. theta energy: -224.058
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: 6, replica: 3
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -2369.831675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2369.831675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2379.225478 (E_RNA)
where:
Base-Base interactions energy: -1690.170
where: short stacking energy: -714.741
Base-Backbone interact. energy: -2.499
local terms energy: -686.556433
where:
bonds (distance) C4'-P energy: -109.082
bonds (distance) P-C4' energy: -122.959
flat angles C4'-P-C4' energy: -147.527
flat angles P-C4'-P energy: -86.324
tors. eta vs tors. theta energy: -220.665
Dist. restrs. and SS energy: 9.394 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -2277.508669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2277.508669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2294.846809 (E_RNA)
where:
Base-Base interactions energy: -1584.452
where: short stacking energy: -670.892
Base-Backbone interact. energy: -3.393
local terms energy: -707.001520
where:
bonds (distance) C4'-P energy: -118.887
bonds (distance) P-C4' energy: -133.599
flat angles C4'-P-C4' energy: -150.379
flat angles P-C4'-P energy: -114.889
tors. eta vs tors. theta energy: -189.247
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: 8, replica: 4
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -2202.764627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2202.764627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2221.252932 (E_RNA)
where:
Base-Base interactions energy: -1548.464
where: short stacking energy: -669.269
Base-Backbone interact. energy: -2.033
local terms energy: -670.756156
where:
bonds (distance) C4'-P energy: -116.879
bonds (distance) P-C4' energy: -135.082
flat angles C4'-P-C4' energy: -147.103
flat angles P-C4'-P energy: -77.679
tors. eta vs tors. theta energy: -194.014
Dist. restrs. and SS energy: 18.488 (S_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: -2084.566106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2084.566106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.761145 (E_RNA)
where:
Base-Base interactions energy: -1465.933
where: short stacking energy: -617.273
Base-Backbone interact. energy: -0.692
local terms energy: -629.135821
where:
bonds (distance) C4'-P energy: -114.223
bonds (distance) P-C4' energy: -116.178
flat angles C4'-P-C4' energy: -135.688
flat angles P-C4'-P energy: -79.968
tors. eta vs tors. theta energy: -183.079
Dist. restrs. and SS energy: 11.195 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -2018.760470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.760470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2035.447340 (E_RNA)
where:
Base-Base interactions energy: -1427.075
where: short stacking energy: -572.285
Base-Backbone interact. energy: -0.494
local terms energy: -607.877964
where:
bonds (distance) C4'-P energy: -117.866
bonds (distance) P-C4' energy: -107.175
flat angles C4'-P-C4' energy: -139.016
flat angles P-C4'-P energy: -77.407
tors. eta vs tors. theta energy: -166.414
Dist. restrs. and SS energy: 16.687 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -2775.469790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2775.469790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2781.667814 (E_RNA)
where:
Base-Base interactions energy: -1943.300
where: short stacking energy: -830.917
Base-Backbone interact. energy: -1.174
local terms energy: -837.193627
where:
bonds (distance) C4'-P energy: -146.836
bonds (distance) P-C4' energy: -147.255
flat angles C4'-P-C4' energy: -178.675
flat angles P-C4'-P energy: -113.696
tors. eta vs tors. theta energy: -250.732
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: 8
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -2681.770881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2681.770881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2684.992383 (E_RNA)
where:
Base-Base interactions energy: -1862.810
where: short stacking energy: -791.336
Base-Backbone interact. energy: -3.680
local terms energy: -818.502485
where:
bonds (distance) C4'-P energy: -148.834
bonds (distance) P-C4' energy: -148.265
flat angles C4'-P-C4' energy: -166.273
flat angles P-C4'-P energy: -113.903
tors. eta vs tors. theta energy: -241.228
Dist. restrs. and SS energy: 3.222 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -2601.839908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2601.839908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2604.707847 (E_RNA)
where:
Base-Base interactions energy: -1819.207
where: short stacking energy: -765.040
Base-Backbone interact. energy: -2.293
local terms energy: -783.208061
where:
bonds (distance) C4'-P energy: -149.147
bonds (distance) P-C4' energy: -125.783
flat angles C4'-P-C4' energy: -168.684
flat angles P-C4'-P energy: -109.403
tors. eta vs tors. theta energy: -230.190
Dist. restrs. and SS energy: 2.868 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -2525.261959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2525.261959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2530.282419 (E_RNA)
where:
Base-Base interactions energy: -1781.447
where: short stacking energy: -730.601
Base-Backbone interact. energy: -2.752
local terms energy: -746.083801
where:
bonds (distance) C4'-P energy: -131.774
bonds (distance) P-C4' energy: -142.401
flat angles C4'-P-C4' energy: -159.917
flat angles P-C4'-P energy: -102.205
tors. eta vs tors. theta energy: -209.786
Dist. restrs. and SS energy: 5.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -2407.975329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2407.975329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2420.494254 (E_RNA)
where:
Base-Base interactions energy: -1699.649
where: short stacking energy: -712.856
Base-Backbone interact. energy: -0.447
local terms energy: -720.398031
where:
bonds (distance) C4'-P energy: -114.236
bonds (distance) P-C4' energy: -130.241
flat angles C4'-P-C4' energy: -166.062
flat angles P-C4'-P energy: -106.447
tors. eta vs tors. theta energy: -203.412
Dist. restrs. and SS energy: 12.519 (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: 3
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -2335.849111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2335.849111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2345.900731 (E_RNA)
where:
Base-Base interactions energy: -1653.318
where: short stacking energy: -689.479
Base-Backbone interact. energy: -0.929
local terms energy: -691.654179
where:
bonds (distance) C4'-P energy: -113.091
bonds (distance) P-C4' energy: -133.247
flat angles C4'-P-C4' energy: -147.266
flat angles P-C4'-P energy: -85.529
tors. eta vs tors. theta energy: -212.521
Dist. restrs. and SS energy: 10.052 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -2246.789972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2246.789972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2262.512177 (E_RNA)
where:
Base-Base interactions energy: -1606.960
where: short stacking energy: -677.941
Base-Backbone interact. energy: -1.940
local terms energy: -653.611756
where:
bonds (distance) C4'-P energy: -127.067
bonds (distance) P-C4' energy: -99.013
flat angles C4'-P-C4' energy: -141.511
flat angles P-C4'-P energy: -87.694
tors. eta vs tors. theta energy: -198.326
Dist. restrs. and SS energy: 15.722 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -2175.984385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2175.984385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2191.023625 (E_RNA)
where:
Base-Base interactions energy: -1550.905
where: short stacking energy: -649.782
Base-Backbone interact. energy: 0.127
local terms energy: -640.245676
where:
bonds (distance) C4'-P energy: -90.586
bonds (distance) P-C4' energy: -129.921
flat angles C4'-P-C4' energy: -138.610
flat angles P-C4'-P energy: -97.359
tors. eta vs tors. theta energy: -183.770
Dist. restrs. and SS energy: 15.039 (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: 9
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -2025.793975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2025.793975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2039.316689 (E_RNA)
where:
Base-Base interactions energy: -1431.028
where: short stacking energy: -589.292
Base-Backbone interact. energy: -0.894
local terms energy: -607.394365
where:
bonds (distance) C4'-P energy: -108.776
bonds (distance) P-C4' energy: -110.541
flat angles C4'-P-C4' energy: -141.498
flat angles P-C4'-P energy: -79.587
tors. eta vs tors. theta energy: -166.993
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: 10, replica: 6
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -1995.122095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1995.122095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2014.526007 (E_RNA)
where:
Base-Base interactions energy: -1442.625
where: short stacking energy: -598.527
Base-Backbone interact. energy: 2.349
local terms energy: -574.249856
where:
bonds (distance) C4'-P energy: -106.143
bonds (distance) P-C4' energy: -96.439
flat angles C4'-P-C4' energy: -123.874
flat angles P-C4'-P energy: -72.438
tors. eta vs tors. theta energy: -175.356
Dist. restrs. and SS energy: 19.404 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -2793.137354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2793.137354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2794.507999 (E_RNA)
where:
Base-Base interactions energy: -1939.361
where: short stacking energy: -830.514
Base-Backbone interact. energy: -3.586
local terms energy: -851.560433
where:
bonds (distance) C4'-P energy: -158.396
bonds (distance) P-C4' energy: -153.976
flat angles C4'-P-C4' energy: -170.193
flat angles P-C4'-P energy: -114.348
tors. eta vs tors. theta energy: -254.647
Dist. restrs. and SS energy: 1.371 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -2699.237908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2699.237908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2703.177862 (E_RNA)
where:
Base-Base interactions energy: -1914.296
where: short stacking energy: -817.075
Base-Backbone interact. energy: -2.448
local terms energy: -786.433870
where:
bonds (distance) C4'-P energy: -148.163
bonds (distance) P-C4' energy: -145.646
flat angles C4'-P-C4' energy: -156.535
flat angles P-C4'-P energy: -102.134
tors. eta vs tors. theta energy: -233.957
Dist. restrs. and SS energy: 3.940 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -2622.635093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2622.635093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2625.684837 (E_RNA)
where:
Base-Base interactions energy: -1844.259
where: short stacking energy: -757.655
Base-Backbone interact. energy: -2.101
local terms energy: -779.325334
where:
bonds (distance) C4'-P energy: -141.251
bonds (distance) P-C4' energy: -123.400
flat angles C4'-P-C4' energy: -172.079
flat angles P-C4'-P energy: -116.321
tors. eta vs tors. theta energy: -226.274
Dist. restrs. and SS energy: 3.050 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -2516.150070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2516.150070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2525.528625 (E_RNA)
where:
Base-Base interactions energy: -1764.033
where: short stacking energy: -779.916
Base-Backbone interact. energy: -1.088
local terms energy: -760.408328
where:
bonds (distance) C4'-P energy: -112.564
bonds (distance) P-C4' energy: -129.207
flat angles C4'-P-C4' energy: -167.197
flat angles P-C4'-P energy: -111.466
tors. eta vs tors. theta energy: -239.974
Dist. restrs. and SS energy: 9.379 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -2387.115768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2387.115768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2397.590017 (E_RNA)
where:
Base-Base interactions energy: -1682.918
where: short stacking energy: -695.306
Base-Backbone interact. energy: -3.407
local terms energy: -711.265184
where:
bonds (distance) C4'-P energy: -127.688
bonds (distance) P-C4' energy: -126.603
flat angles C4'-P-C4' energy: -154.863
flat angles P-C4'-P energy: -99.068
tors. eta vs tors. theta energy: -203.044
Dist. restrs. and SS energy: 10.474 (S_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: 303
Temperature: 1.150000
Total energy: -2346.506484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2346.506484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2354.664517 (E_RNA)
where:
Base-Base interactions energy: -1674.995
where: short stacking energy: -690.264
Base-Backbone interact. energy: -2.769
local terms energy: -676.901010
where:
bonds (distance) C4'-P energy: -128.777
bonds (distance) P-C4' energy: -96.360
flat angles C4'-P-C4' energy: -144.147
flat angles P-C4'-P energy: -94.761
tors. eta vs tors. theta energy: -212.856
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: 7, replica: 1
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -2257.078551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2257.078551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2271.561584 (E_RNA)
where:
Base-Base interactions energy: -1633.678
where: short stacking energy: -695.201
Base-Backbone interact. energy: 4.701
local terms energy: -642.584341
where:
bonds (distance) C4'-P energy: -127.987
bonds (distance) P-C4' energy: -121.642
flat angles C4'-P-C4' energy: -126.633
flat angles P-C4'-P energy: -79.519
tors. eta vs tors. theta energy: -186.803
Dist. restrs. and SS energy: 14.483 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -2150.413690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2150.413690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2171.207800 (E_RNA)
where:
Base-Base interactions energy: -1528.671
where: short stacking energy: -645.251
Base-Backbone interact. energy: 0.368
local terms energy: -642.905452
where:
bonds (distance) C4'-P energy: -117.160
bonds (distance) P-C4' energy: -114.668
flat angles C4'-P-C4' energy: -123.830
flat angles P-C4'-P energy: -101.308
tors. eta vs tors. theta energy: -185.940
Dist. restrs. and SS energy: 20.794 (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: 9
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -2020.238465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2020.238465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2036.311066 (E_RNA)
where:
Base-Base interactions energy: -1422.814
where: short stacking energy: -604.773
Base-Backbone interact. energy: 0.264
local terms energy: -613.760959
where:
bonds (distance) C4'-P energy: -105.966
bonds (distance) P-C4' energy: -103.623
flat angles C4'-P-C4' energy: -136.574
flat angles P-C4'-P energy: -97.233
tors. eta vs tors. theta energy: -170.365
Dist. restrs. and SS energy: 16.073 (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: 6
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -1935.835022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1935.835022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.340347 (E_RNA)
where:
Base-Base interactions energy: -1377.511
where: short stacking energy: -564.065
Base-Backbone interact. energy: -0.285
local terms energy: -582.543914
where:
bonds (distance) C4'-P energy: -116.492
bonds (distance) P-C4' energy: -95.575
flat angles C4'-P-C4' energy: -123.471
flat angles P-C4'-P energy: -81.561
tors. eta vs tors. theta energy: -165.445
Dist. restrs. and SS energy: 24.505 (S_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: 304
Temperature: 0.900000
Total energy: -2812.163627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2812.163627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2813.986356 (E_RNA)
where:
Base-Base interactions energy: -1960.637
where: short stacking energy: -822.691
Base-Backbone interact. energy: -4.339
local terms energy: -849.010525
where:
bonds (distance) C4'-P energy: -146.285
bonds (distance) P-C4' energy: -150.086
flat angles C4'-P-C4' energy: -173.581
flat angles P-C4'-P energy: -123.144
tors. eta vs tors. theta energy: -255.914
Dist. restrs. and SS energy: 1.823 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -2659.853438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2659.853438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2663.513980 (E_RNA)
where:
Base-Base interactions energy: -1873.185
where: short stacking energy: -771.335
Base-Backbone interact. energy: -0.168
local terms energy: -790.161445
where:
bonds (distance) C4'-P energy: -152.043
bonds (distance) P-C4' energy: -129.512
flat angles C4'-P-C4' energy: -165.356
flat angles P-C4'-P energy: -112.182
tors. eta vs tors. theta energy: -231.068
Dist. restrs. and SS energy: 3.661 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -2642.883450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2642.883450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2647.705473 (E_RNA)
where:
Base-Base interactions energy: -1846.016
where: short stacking energy: -782.534
Base-Backbone interact. energy: -3.884
local terms energy: -797.805720
where:
bonds (distance) C4'-P energy: -137.822
bonds (distance) P-C4' energy: -142.010
flat angles C4'-P-C4' energy: -165.305
flat angles P-C4'-P energy: -113.386
tors. eta vs tors. theta energy: -239.283
Dist. restrs. and SS energy: 4.822 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -2519.563213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2519.563213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2526.093801 (E_RNA)
where:
Base-Base interactions energy: -1758.972
where: short stacking energy: -764.628
Base-Backbone interact. energy: -0.712
local terms energy: -766.409961
where:
bonds (distance) C4'-P energy: -128.084
bonds (distance) P-C4' energy: -123.102
flat angles C4'-P-C4' energy: -160.361
flat angles P-C4'-P energy: -115.873
tors. eta vs tors. theta energy: -238.989
Dist. restrs. and SS energy: 6.531 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -2373.032402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2373.032402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2380.716712 (E_RNA)
where:
Base-Base interactions energy: -1678.200
where: short stacking energy: -698.401
Base-Backbone interact. energy: -1.125
local terms energy: -701.391061
where:
bonds (distance) C4'-P energy: -128.165
bonds (distance) P-C4' energy: -125.261
flat angles C4'-P-C4' energy: -154.384
flat angles P-C4'-P energy: -95.667
tors. eta vs tors. theta energy: -197.914
Dist. restrs. and SS energy: 7.684 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -2371.216976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2371.216976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2379.378598 (E_RNA)
where:
Base-Base interactions energy: -1650.176
where: short stacking energy: -674.306
Base-Backbone interact. energy: 3.836
local terms energy: -733.038254
where:
bonds (distance) C4'-P energy: -130.495
bonds (distance) P-C4' energy: -147.987
flat angles C4'-P-C4' energy: -157.907
flat angles P-C4'-P energy: -93.802
tors. eta vs tors. theta energy: -202.848
Dist. restrs. and SS energy: 8.162 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -2288.888393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2288.888393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2298.218943 (E_RNA)
where:
Base-Base interactions energy: -1651.831
where: short stacking energy: -682.663
Base-Backbone interact. energy: 5.290
local terms energy: -651.677872
where:
bonds (distance) C4'-P energy: -103.952
bonds (distance) P-C4' energy: -123.613
flat angles C4'-P-C4' energy: -147.290
flat angles P-C4'-P energy: -86.217
tors. eta vs tors. theta energy: -190.605
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: 8, replica: 4
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -2153.556106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2153.556106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2170.689778 (E_RNA)
where:
Base-Base interactions energy: -1492.900
where: short stacking energy: -623.837
Base-Backbone interact. energy: -3.346
local terms energy: -674.444048
where:
bonds (distance) C4'-P energy: -119.185
bonds (distance) P-C4' energy: -127.505
flat angles C4'-P-C4' energy: -149.464
flat angles P-C4'-P energy: -96.034
tors. eta vs tors. theta energy: -182.256
Dist. restrs. and SS energy: 17.134 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -2090.005833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2090.005833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2105.575024 (E_RNA)
where:
Base-Base interactions energy: -1473.462
where: short stacking energy: -642.988
Base-Backbone interact. energy: -1.596
local terms energy: -630.517404
where:
bonds (distance) C4'-P energy: -106.589
bonds (distance) P-C4' energy: -123.848
flat angles C4'-P-C4' energy: -136.588
flat angles P-C4'-P energy: -74.704
tors. eta vs tors. theta energy: -188.789
Dist. restrs. and SS energy: 15.569 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -2077.962164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2077.962164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2089.537984 (E_RNA)
where:
Base-Base interactions energy: -1477.534
where: short stacking energy: -606.824
Base-Backbone interact. energy: -0.915
local terms energy: -611.088744
where:
bonds (distance) C4'-P energy: -115.946
bonds (distance) P-C4' energy: -117.381
flat angles C4'-P-C4' energy: -134.094
flat angles P-C4'-P energy: -70.919
tors. eta vs tors. theta energy: -172.750
Dist. restrs. and SS energy: 11.576 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -2797.141764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2797.141764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2798.652942 (E_RNA)
where:
Base-Base interactions energy: -1957.230
where: short stacking energy: -835.555
Base-Backbone interact. energy: -1.845
local terms energy: -839.578293
where:
bonds (distance) C4'-P energy: -144.021
bonds (distance) P-C4' energy: -140.739
flat angles C4'-P-C4' energy: -176.820
flat angles P-C4'-P energy: -126.893
tors. eta vs tors. theta energy: -251.105
Dist. restrs. and SS energy: 1.511 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -2660.221242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2660.221242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2664.695232 (E_RNA)
where:
Base-Base interactions energy: -1868.086
where: short stacking energy: -798.827
Base-Backbone interact. energy: -4.243
local terms energy: -792.365566
where:
bonds (distance) C4'-P energy: -134.778
bonds (distance) P-C4' energy: -147.019
flat angles C4'-P-C4' energy: -156.620
flat angles P-C4'-P energy: -117.226
tors. eta vs tors. theta energy: -236.722
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: 5
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -2628.737517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2628.737517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2631.941865 (E_RNA)
where:
Base-Base interactions energy: -1850.857
where: short stacking energy: -787.221
Base-Backbone interact. energy: -0.262
local terms energy: -780.822923
where:
bonds (distance) C4'-P energy: -141.602
bonds (distance) P-C4' energy: -130.286
flat angles C4'-P-C4' energy: -161.364
flat angles P-C4'-P energy: -118.060
tors. eta vs tors. theta energy: -229.511
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: 4, replica: 3
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -2446.105620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2446.105620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2450.961056 (E_RNA)
where:
Base-Base interactions energy: -1728.103
where: short stacking energy: -714.816
Base-Backbone interact. energy: 1.733
local terms energy: -724.590909
where:
bonds (distance) C4'-P energy: -133.559
bonds (distance) P-C4' energy: -146.194
flat angles C4'-P-C4' energy: -149.107
flat angles P-C4'-P energy: -80.301
tors. eta vs tors. theta energy: -215.430
Dist. restrs. and SS energy: 4.855 (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: 10
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -2471.788514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2471.788514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2478.601310 (E_RNA)
where:
Base-Base interactions energy: -1739.486
where: short stacking energy: -728.864
Base-Backbone interact. energy: -3.055
local terms energy: -736.060830
where:
bonds (distance) C4'-P energy: -122.480
bonds (distance) P-C4' energy: -129.295
flat angles C4'-P-C4' energy: -163.086
flat angles P-C4'-P energy: -97.670
tors. eta vs tors. theta energy: -223.529
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: 6, replica: 7
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -2340.159800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2340.159800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2354.797858 (E_RNA)
where:
Base-Base interactions energy: -1627.129
where: short stacking energy: -698.508
Base-Backbone interact. energy: 2.639
local terms energy: -730.307487
where:
bonds (distance) C4'-P energy: -115.318
bonds (distance) P-C4' energy: -138.552
flat angles C4'-P-C4' energy: -149.674
flat angles P-C4'-P energy: -99.820
tors. eta vs tors. theta energy: -226.944
Dist. restrs. and SS energy: 14.638 (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: 1
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -2284.821644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2284.821644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2302.879150 (E_RNA)
where:
Base-Base interactions energy: -1597.750
where: short stacking energy: -655.399
Base-Backbone interact. energy: 2.315
local terms energy: -707.443714
where:
bonds (distance) C4'-P energy: -125.741
bonds (distance) P-C4' energy: -135.665
flat angles C4'-P-C4' energy: -134.451
flat angles P-C4'-P energy: -107.190
tors. eta vs tors. theta energy: -204.397
Dist. restrs. and SS energy: 18.058 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -2185.742083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2185.742083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2202.016005 (E_RNA)
where:
Base-Base interactions energy: -1554.113
where: short stacking energy: -647.219
Base-Backbone interact. energy: 0.734
local terms energy: -648.636825
where:
bonds (distance) C4'-P energy: -106.839
bonds (distance) P-C4' energy: -114.616
flat angles C4'-P-C4' energy: -130.287
flat angles P-C4'-P energy: -102.311
tors. eta vs tors. theta energy: -194.584
Dist. restrs. and SS energy: 16.274 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -2029.022247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2029.022247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2045.217045 (E_RNA)
where:
Base-Base interactions energy: -1431.619
where: short stacking energy: -606.422
Base-Backbone interact. energy: 1.071
local terms energy: -614.669740
where:
bonds (distance) C4'-P energy: -115.013
bonds (distance) P-C4' energy: -96.316
flat angles C4'-P-C4' energy: -138.489
flat angles P-C4'-P energy: -85.760
tors. eta vs tors. theta energy: -179.091
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: 10, replica: 6
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -2001.029588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2001.029588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2021.962918 (E_RNA)
where:
Base-Base interactions energy: -1436.046
where: short stacking energy: -599.576
Base-Backbone interact. energy: -3.102
local terms energy: -582.815023
where:
bonds (distance) C4'-P energy: -96.190
bonds (distance) P-C4' energy: -117.199
flat angles C4'-P-C4' energy: -126.204
flat angles P-C4'-P energy: -79.306
tors. eta vs tors. theta energy: -163.916
Dist. restrs. and SS energy: 20.933 (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: 2
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -2803.674091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2803.674091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2807.354807 (E_RNA)
where:
Base-Base interactions energy: -1967.748
where: short stacking energy: -826.058
Base-Backbone interact. energy: -1.322
local terms energy: -838.285276
where:
bonds (distance) C4'-P energy: -151.509
bonds (distance) P-C4' energy: -149.652
flat angles C4'-P-C4' energy: -176.591
flat angles P-C4'-P energy: -116.154
tors. eta vs tors. theta energy: -244.379
Dist. restrs. and SS energy: 3.681 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -2692.551194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2692.551194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2697.317186 (E_RNA)
where:
Base-Base interactions energy: -1896.246
where: short stacking energy: -812.121
Base-Backbone interact. energy: -1.283
local terms energy: -799.787549
where:
bonds (distance) C4'-P energy: -136.093
bonds (distance) P-C4' energy: -153.076
flat angles C4'-P-C4' energy: -166.192
flat angles P-C4'-P energy: -107.265
tors. eta vs tors. theta energy: -237.162
Dist. restrs. and SS energy: 4.766 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -2634.829157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2634.829157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2638.532000 (E_RNA)
where:
Base-Base interactions energy: -1859.613
where: short stacking energy: -797.898
Base-Backbone interact. energy: -2.356
local terms energy: -776.562590
where:
bonds (distance) C4'-P energy: -136.718
bonds (distance) P-C4' energy: -142.800
flat angles C4'-P-C4' energy: -163.374
flat angles P-C4'-P energy: -105.243
tors. eta vs tors. theta energy: -228.428
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: 4, replica: 3
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -2475.239438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2475.239438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2480.576726 (E_RNA)
where:
Base-Base interactions energy: -1732.084
where: short stacking energy: -735.307
Base-Backbone interact. energy: -2.025
local terms energy: -746.467966
where:
bonds (distance) C4'-P energy: -126.339
bonds (distance) P-C4' energy: -143.381
flat angles C4'-P-C4' energy: -156.486
flat angles P-C4'-P energy: -100.608
tors. eta vs tors. theta energy: -219.654
Dist. restrs. and SS energy: 5.337 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -2419.083406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2419.083406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2427.366498 (E_RNA)
where:
Base-Base interactions energy: -1679.213
where: short stacking energy: -725.238
Base-Backbone interact. energy: -2.594
local terms energy: -745.560165
where:
bonds (distance) C4'-P energy: -126.716
bonds (distance) P-C4' energy: -145.491
flat angles C4'-P-C4' energy: -159.795
flat angles P-C4'-P energy: -95.874
tors. eta vs tors. theta energy: -217.683
Dist. restrs. and SS energy: 8.283 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -2344.751077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2344.751077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2357.582996 (E_RNA)
where:
Base-Base interactions energy: -1643.487
where: short stacking energy: -705.188
Base-Backbone interact. energy: 0.083
local terms energy: -714.178876
where:
bonds (distance) C4'-P energy: -124.814
bonds (distance) P-C4' energy: -129.602
flat angles C4'-P-C4' energy: -150.673
flat angles P-C4'-P energy: -105.783
tors. eta vs tors. theta energy: -203.306
Dist. restrs. and SS energy: 12.832 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -2242.948374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2242.948374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2252.211660 (E_RNA)
where:
Base-Base interactions energy: -1634.552
where: short stacking energy: -696.592
Base-Backbone interact. energy: 1.451
local terms energy: -619.110759
where:
bonds (distance) C4'-P energy: -90.457
bonds (distance) P-C4' energy: -99.092
flat angles C4'-P-C4' energy: -144.018
flat angles P-C4'-P energy: -84.714
tors. eta vs tors. theta energy: -200.829
Dist. restrs. and SS energy: 9.263 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -2142.375320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2142.375320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2155.399217 (E_RNA)
where:
Base-Base interactions energy: -1538.644
where: short stacking energy: -637.437
Base-Backbone interact. energy: 1.629
local terms energy: -618.384935
where:
bonds (distance) C4'-P energy: -97.880
bonds (distance) P-C4' energy: -101.409
flat angles C4'-P-C4' energy: -137.096
flat angles P-C4'-P energy: -76.977
tors. eta vs tors. theta energy: -205.023
Dist. restrs. and SS energy: 13.024 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -2057.392994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2057.392994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2078.657641 (E_RNA)
where:
Base-Base interactions energy: -1451.160
where: short stacking energy: -613.621
Base-Backbone interact. energy: -0.996
local terms energy: -626.501464
where:
bonds (distance) C4'-P energy: -133.463
bonds (distance) P-C4' energy: -114.340
flat angles C4'-P-C4' energy: -115.896
flat angles P-C4'-P energy: -78.454
tors. eta vs tors. theta energy: -184.348
Dist. restrs. and SS energy: 21.265 (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: 306
Temperature: 1.350000
Total energy: -2029.425991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2029.425991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2052.524992 (E_RNA)
where:
Base-Base interactions energy: -1459.899
where: short stacking energy: -577.997
Base-Backbone interact. energy: -4.440
local terms energy: -588.185801
where:
bonds (distance) C4'-P energy: -92.753
bonds (distance) P-C4' energy: -132.042
flat angles C4'-P-C4' energy: -130.762
flat angles P-C4'-P energy: -76.490
tors. eta vs tors. theta energy: -156.138
Dist. restrs. and SS energy: 23.099 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -2794.058545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2794.058545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2799.840327 (E_RNA)
where:
Base-Base interactions energy: -1941.405
where: short stacking energy: -820.975
Base-Backbone interact. energy: -3.306
local terms energy: -855.130148
where:
bonds (distance) C4'-P energy: -141.387
bonds (distance) P-C4' energy: -164.122
flat angles C4'-P-C4' energy: -174.933
flat angles P-C4'-P energy: -112.229
tors. eta vs tors. theta energy: -262.460
Dist. restrs. and SS energy: 5.782 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -2669.957274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2669.957274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2672.604006 (E_RNA)
where:
Base-Base interactions energy: -1891.778
where: short stacking energy: -798.252
Base-Backbone interact. energy: -2.608
local terms energy: -778.217230
where:
bonds (distance) C4'-P energy: -132.670
bonds (distance) P-C4' energy: -150.933
flat angles C4'-P-C4' energy: -162.131
flat angles P-C4'-P energy: -99.113
tors. eta vs tors. theta energy: -233.371
Dist. restrs. and SS energy: 2.647 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -2616.885026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2616.885026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2620.997332 (E_RNA)
where:
Base-Base interactions energy: -1833.700
where: short stacking energy: -797.184
Base-Backbone interact. energy: -0.643
local terms energy: -786.654587
where:
bonds (distance) C4'-P energy: -125.901
bonds (distance) P-C4' energy: -143.234
flat angles C4'-P-C4' energy: -164.519
flat angles P-C4'-P energy: -119.831
tors. eta vs tors. theta energy: -233.170
Dist. restrs. and SS energy: 4.112 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -2451.015238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2451.015238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2457.384358 (E_RNA)
where:
Base-Base interactions energy: -1722.598
where: short stacking energy: -697.979
Base-Backbone interact. energy: -0.467
local terms energy: -734.319403
where:
bonds (distance) C4'-P energy: -129.928
bonds (distance) P-C4' energy: -141.313
flat angles C4'-P-C4' energy: -153.551
flat angles P-C4'-P energy: -102.172
tors. eta vs tors. theta energy: -207.356
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: 5, replica: 10
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -2437.513530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2437.513530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2443.171524 (E_RNA)
where:
Base-Base interactions energy: -1739.985
where: short stacking energy: -721.701
Base-Backbone interact. energy: -0.440
local terms energy: -702.745914
where:
bonds (distance) C4'-P energy: -105.925
bonds (distance) P-C4' energy: -125.136
flat angles C4'-P-C4' energy: -150.323
flat angles P-C4'-P energy: -104.238
tors. eta vs tors. theta energy: -217.124
Dist. restrs. and SS energy: 5.658 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -2365.080173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2365.080173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2374.731207 (E_RNA)
where:
Base-Base interactions energy: -1660.252
where: short stacking energy: -696.533
Base-Backbone interact. energy: 5.336
local terms energy: -719.815284
where:
bonds (distance) C4'-P energy: -132.339
bonds (distance) P-C4' energy: -133.934
flat angles C4'-P-C4' energy: -150.346
flat angles P-C4'-P energy: -97.915
tors. eta vs tors. theta energy: -205.282
Dist. restrs. and SS energy: 9.651 (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: 1
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -2266.891202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2266.891202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2277.320555 (E_RNA)
where:
Base-Base interactions energy: -1593.801
where: short stacking energy: -689.451
Base-Backbone interact. energy: 4.425
local terms energy: -687.944496
where:
bonds (distance) C4'-P energy: -131.052
bonds (distance) P-C4' energy: -114.899
flat angles C4'-P-C4' energy: -142.532
flat angles P-C4'-P energy: -97.387
tors. eta vs tors. theta energy: -202.073
Dist. restrs. and SS energy: 10.429 (S_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: 307
Temperature: 1.250000
Total energy: -2153.707165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2153.707165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2169.576436 (E_RNA)
where:
Base-Base interactions energy: -1564.958
where: short stacking energy: -647.706
Base-Backbone interact. energy: -2.626
local terms energy: -601.992196
where:
bonds (distance) C4'-P energy: -90.101
bonds (distance) P-C4' energy: -97.830
flat angles C4'-P-C4' energy: -146.031
flat angles P-C4'-P energy: -87.176
tors. eta vs tors. theta energy: -180.855
Dist. restrs. and SS energy: 15.869 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -2030.268373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2030.268373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2049.942596 (E_RNA)
where:
Base-Base interactions energy: -1431.519
where: short stacking energy: -602.896
Base-Backbone interact. energy: 0.318
local terms energy: -618.741820
where:
bonds (distance) C4'-P energy: -108.006
bonds (distance) P-C4' energy: -114.650
flat angles C4'-P-C4' energy: -141.619
flat angles P-C4'-P energy: -83.060
tors. eta vs tors. theta energy: -171.407
Dist. restrs. and SS energy: 19.674 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -2077.453461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2077.453461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2090.167161 (E_RNA)
where:
Base-Base interactions energy: -1474.066
where: short stacking energy: -611.705
Base-Backbone interact. energy: -2.639
local terms energy: -613.462720
where:
bonds (distance) C4'-P energy: -116.704
bonds (distance) P-C4' energy: -119.657
flat angles C4'-P-C4' energy: -134.671
flat angles P-C4'-P energy: -65.325
tors. eta vs tors. theta energy: -177.106
Dist. restrs. and SS energy: 12.714 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -2779.408256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2779.408256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2782.172822 (E_RNA)
where:
Base-Base interactions energy: -1939.556
where: short stacking energy: -809.117
Base-Backbone interact. energy: -2.027
local terms energy: -840.590125
where:
bonds (distance) C4'-P energy: -154.466
bonds (distance) P-C4' energy: -143.594
flat angles C4'-P-C4' energy: -177.137
flat angles P-C4'-P energy: -116.142
tors. eta vs tors. theta energy: -249.252
Dist. restrs. and SS energy: 2.765 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -2680.982497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2680.982497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2685.545806 (E_RNA)
where:
Base-Base interactions energy: -1889.584
where: short stacking energy: -815.826
Base-Backbone interact. energy: 2.240
local terms energy: -798.201867
where:
bonds (distance) C4'-P energy: -132.057
bonds (distance) P-C4' energy: -156.364
flat angles C4'-P-C4' energy: -165.561
flat angles P-C4'-P energy: -103.846
tors. eta vs tors. theta energy: -240.373
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: 3, replica: 5
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -2631.405460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2631.405460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2637.361925 (E_RNA)
where:
Base-Base interactions energy: -1868.068
where: short stacking energy: -794.999
Base-Backbone interact. energy: -1.678
local terms energy: -767.615264
where:
bonds (distance) C4'-P energy: -123.875
bonds (distance) P-C4' energy: -132.949
flat angles C4'-P-C4' energy: -167.280
flat angles P-C4'-P energy: -110.612
tors. eta vs tors. theta energy: -232.898
Dist. restrs. and SS energy: 5.956 (S_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: 308
Temperature: 1.050000
Total energy: -2450.040057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2450.040057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2455.755881 (E_RNA)
where:
Base-Base interactions energy: -1734.993
where: short stacking energy: -726.885
Base-Backbone interact. energy: -4.693
local terms energy: -716.070474
where:
bonds (distance) C4'-P energy: -118.939
bonds (distance) P-C4' energy: -126.245
flat angles C4'-P-C4' energy: -153.471
flat angles P-C4'-P energy: -101.160
tors. eta vs tors. theta energy: -216.256
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: 5, replica: 10
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -2455.151273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2455.151273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2459.206493 (E_RNA)
where:
Base-Base interactions energy: -1733.274
where: short stacking energy: -760.675
Base-Backbone interact. energy: -1.555
local terms energy: -724.377623
where:
bonds (distance) C4'-P energy: -129.400
bonds (distance) P-C4' energy: -121.762
flat angles C4'-P-C4' energy: -162.696
flat angles P-C4'-P energy: -91.067
tors. eta vs tors. theta energy: -219.453
Dist. restrs. and SS energy: 4.055 (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: 7
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -2327.109098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2327.109098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2334.819467 (E_RNA)
where:
Base-Base interactions energy: -1621.249
where: short stacking energy: -672.417
Base-Backbone interact. energy: 3.342
local terms energy: -716.911940
where:
bonds (distance) C4'-P energy: -121.746
bonds (distance) P-C4' energy: -143.960
flat angles C4'-P-C4' energy: -156.494
flat angles P-C4'-P energy: -93.241
tors. eta vs tors. theta energy: -201.470
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: 1
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -2241.070785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2241.070785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2249.076432 (E_RNA)
where:
Base-Base interactions energy: -1586.098
where: short stacking energy: -657.811
Base-Backbone interact. energy: -2.907
local terms energy: -660.071330
where:
bonds (distance) C4'-P energy: -122.943
bonds (distance) P-C4' energy: -115.529
flat angles C4'-P-C4' energy: -148.682
flat angles P-C4'-P energy: -67.854
tors. eta vs tors. theta energy: -205.063
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: 8, replica: 4
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -2165.451390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2165.451390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2188.128888 (E_RNA)
where:
Base-Base interactions energy: -1530.726
where: short stacking energy: -648.871
Base-Backbone interact. energy: 3.298
local terms energy: -660.700751
where:
bonds (distance) C4'-P energy: -118.836
bonds (distance) P-C4' energy: -122.103
flat angles C4'-P-C4' energy: -146.264
flat angles P-C4'-P energy: -88.810
tors. eta vs tors. theta energy: -184.687
Dist. restrs. and SS energy: 22.677 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -2035.626066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2035.626066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2047.978552 (E_RNA)
where:
Base-Base interactions energy: -1428.934
where: short stacking energy: -591.709
Base-Backbone interact. energy: -2.036
local terms energy: -617.008565
where:
bonds (distance) C4'-P energy: -101.411
bonds (distance) P-C4' energy: -126.947
flat angles C4'-P-C4' energy: -143.120
flat angles P-C4'-P energy: -72.502
tors. eta vs tors. theta energy: -173.028
Dist. restrs. and SS energy: 12.352 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -2031.466903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2031.466903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2053.023756 (E_RNA)
where:
Base-Base interactions energy: -1444.194
where: short stacking energy: -586.370
Base-Backbone interact. energy: -2.381
local terms energy: -606.448632
where:
bonds (distance) C4'-P energy: -96.038
bonds (distance) P-C4' energy: -123.035
flat angles C4'-P-C4' energy: -133.864
flat angles P-C4'-P energy: -81.114
tors. eta vs tors. theta energy: -172.397
Dist. restrs. and SS energy: 21.557 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -2808.608396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2808.608396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2810.578032 (E_RNA)
where:
Base-Base interactions energy: -1974.197
where: short stacking energy: -826.100
Base-Backbone interact. energy: -4.004
local terms energy: -832.376816
where:
bonds (distance) C4'-P energy: -137.280
bonds (distance) P-C4' energy: -151.415
flat angles C4'-P-C4' energy: -166.623
flat angles P-C4'-P energy: -125.879
tors. eta vs tors. theta energy: -251.179
Dist. restrs. and SS energy: 1.970 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -2687.125433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2687.125433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2693.207896 (E_RNA)
where:
Base-Base interactions energy: -1872.744
where: short stacking energy: -818.303
Base-Backbone interact. energy: -0.717
local terms energy: -819.747468
where:
bonds (distance) C4'-P energy: -150.706
bonds (distance) P-C4' energy: -154.376
flat angles C4'-P-C4' energy: -158.937
flat angles P-C4'-P energy: -121.662
tors. eta vs tors. theta energy: -234.067
Dist. restrs. and SS energy: 6.082 (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: 5
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -2615.878556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2615.878556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2623.323340 (E_RNA)
where:
Base-Base interactions energy: -1838.713
where: short stacking energy: -779.274
Base-Backbone interact. energy: -3.010
local terms energy: -781.599981
where:
bonds (distance) C4'-P energy: -140.494
bonds (distance) P-C4' energy: -141.467
flat angles C4'-P-C4' energy: -159.175
flat angles P-C4'-P energy: -103.724
tors. eta vs tors. theta energy: -236.739
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: 4, replica: 3
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -2472.681771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2472.681771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2478.163912 (E_RNA)
where:
Base-Base interactions energy: -1770.445
where: short stacking energy: -743.885
Base-Backbone interact. energy: -2.703
local terms energy: -705.015067
where:
bonds (distance) C4'-P energy: -128.276
bonds (distance) P-C4' energy: -122.195
flat angles C4'-P-C4' energy: -147.148
flat angles P-C4'-P energy: -87.507
tors. eta vs tors. theta energy: -219.889
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: 10
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -2416.674087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2416.674087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2427.191141 (E_RNA)
where:
Base-Base interactions energy: -1694.434
where: short stacking energy: -716.015
Base-Backbone interact. energy: -2.158
local terms energy: -730.598545
where:
bonds (distance) C4'-P energy: -128.977
bonds (distance) P-C4' energy: -131.106
flat angles C4'-P-C4' energy: -146.416
flat angles P-C4'-P energy: -103.599
tors. eta vs tors. theta energy: -220.500
Dist. restrs. and SS energy: 10.517 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -2330.484282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2330.484282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2339.374860 (E_RNA)
where:
Base-Base interactions energy: -1619.426
where: short stacking energy: -681.051
Base-Backbone interact. energy: -2.840
local terms energy: -717.108494
where:
bonds (distance) C4'-P energy: -132.755
bonds (distance) P-C4' energy: -131.389
flat angles C4'-P-C4' energy: -139.259
flat angles P-C4'-P energy: -101.505
tors. eta vs tors. theta energy: -212.201
Dist. restrs. and SS energy: 8.891 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -2247.766568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2247.766568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2258.488621 (E_RNA)
where:
Base-Base interactions energy: -1569.515
where: short stacking energy: -659.225
Base-Backbone interact. energy: 0.659
local terms energy: -689.633191
where:
bonds (distance) C4'-P energy: -128.561
bonds (distance) P-C4' energy: -124.480
flat angles C4'-P-C4' energy: -147.506
flat angles P-C4'-P energy: -100.389
tors. eta vs tors. theta energy: -188.697
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: 8, replica: 4
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -2154.373290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2154.373290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2169.898900 (E_RNA)
where:
Base-Base interactions energy: -1525.151
where: short stacking energy: -639.040
Base-Backbone interact. energy: -0.913
local terms energy: -643.835024
where:
bonds (distance) C4'-P energy: -103.813
bonds (distance) P-C4' energy: -111.398
flat angles C4'-P-C4' energy: -153.763
flat angles P-C4'-P energy: -91.139
tors. eta vs tors. theta energy: -183.722
Dist. restrs. and SS energy: 15.526 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -2011.129718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2011.129718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2031.752370 (E_RNA)
where:
Base-Base interactions energy: -1421.541
where: short stacking energy: -590.145
Base-Backbone interact. energy: 2.651
local terms energy: -612.862238
where:
bonds (distance) C4'-P energy: -103.262
bonds (distance) P-C4' energy: -127.623
flat angles C4'-P-C4' energy: -127.200
flat angles P-C4'-P energy: -84.111
tors. eta vs tors. theta energy: -170.666
Dist. restrs. and SS energy: 20.623 (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: 6
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -1996.429786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1996.429786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2018.936905 (E_RNA)
where:
Base-Base interactions energy: -1433.343
where: short stacking energy: -580.450
Base-Backbone interact. energy: -0.449
local terms energy: -585.144832
where:
bonds (distance) C4'-P energy: -105.175
bonds (distance) P-C4' energy: -109.874
flat angles C4'-P-C4' energy: -130.609
flat angles P-C4'-P energy: -66.535
tors. eta vs tors. theta energy: -172.952
Dist. restrs. and SS energy: 22.507 (S_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: 310
Temperature: 0.900000
Total energy: -2799.913981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2799.913981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2802.920007 (E_RNA)
where:
Base-Base interactions energy: -1966.043
where: short stacking energy: -824.550
Base-Backbone interact. energy: -1.445
local terms energy: -835.431603
where:
bonds (distance) C4'-P energy: -139.277
bonds (distance) P-C4' energy: -158.313
flat angles C4'-P-C4' energy: -166.255
flat angles P-C4'-P energy: -123.024
tors. eta vs tors. theta energy: -248.562
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: 8
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -2682.842591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2682.842591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2685.945672 (E_RNA)
where:
Base-Base interactions energy: -1897.085
where: short stacking energy: -811.702
Base-Backbone interact. energy: -2.363
local terms energy: -786.497423
where:
bonds (distance) C4'-P energy: -138.581
bonds (distance) P-C4' energy: -135.121
flat angles C4'-P-C4' energy: -167.380
flat angles P-C4'-P energy: -109.544
tors. eta vs tors. theta energy: -235.871
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: 3, replica: 5
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -2621.451567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2621.451567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2626.576466 (E_RNA)
where:
Base-Base interactions energy: -1839.443
where: short stacking energy: -787.758
Base-Backbone interact. energy: 0.773
local terms energy: -787.905791
where:
bonds (distance) C4'-P energy: -142.083
bonds (distance) P-C4' energy: -127.060
flat angles C4'-P-C4' energy: -158.900
flat angles P-C4'-P energy: -113.909
tors. eta vs tors. theta energy: -245.954
Dist. restrs. and SS energy: 5.125 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -2461.911734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2461.911734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2469.985719 (E_RNA)
where:
Base-Base interactions energy: -1720.383
where: short stacking energy: -727.282
Base-Backbone interact. energy: -4.002
local terms energy: -745.600515
where:
bonds (distance) C4'-P energy: -135.676
bonds (distance) P-C4' energy: -141.906
flat angles C4'-P-C4' energy: -161.239
flat angles P-C4'-P energy: -104.155
tors. eta vs tors. theta energy: -202.624
Dist. restrs. and SS energy: 8.074 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -2450.511856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2450.511856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2457.079364 (E_RNA)
where:
Base-Base interactions energy: -1728.975
where: short stacking energy: -729.946
Base-Backbone interact. energy: -1.936
local terms energy: -726.167827
where:
bonds (distance) C4'-P energy: -138.191
bonds (distance) P-C4' energy: -124.553
flat angles C4'-P-C4' energy: -149.099
flat angles P-C4'-P energy: -94.616
tors. eta vs tors. theta energy: -219.707
Dist. restrs. and SS energy: 6.568 (S_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: 310
Temperature: 1.150000
Total energy: -2347.213122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2347.213122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2357.713404 (E_RNA)
where:
Base-Base interactions energy: -1627.017
where: short stacking energy: -687.562
Base-Backbone interact. energy: 0.981
local terms energy: -731.677524
where:
bonds (distance) C4'-P energy: -131.524
bonds (distance) P-C4' energy: -136.619
flat angles C4'-P-C4' energy: -134.348
flat angles P-C4'-P energy: -110.426
tors. eta vs tors. theta energy: -218.760
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: 7, replica: 1
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -2232.106703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2232.106703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2247.823335 (E_RNA)
where:
Base-Base interactions energy: -1554.044
where: short stacking energy: -659.777
Base-Backbone interact. energy: -1.433
local terms energy: -692.346148
where:
bonds (distance) C4'-P energy: -130.680
bonds (distance) P-C4' energy: -110.743
flat angles C4'-P-C4' energy: -160.236
flat angles P-C4'-P energy: -98.106
tors. eta vs tors. theta energy: -192.581
Dist. restrs. and SS energy: 15.717 (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: 4
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -2131.397360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2131.397360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2149.239144 (E_RNA)
where:
Base-Base interactions energy: -1512.961
where: short stacking energy: -634.901
Base-Backbone interact. energy: 1.009
local terms energy: -637.287178
where:
bonds (distance) C4'-P energy: -129.030
bonds (distance) P-C4' energy: -121.739
flat angles C4'-P-C4' energy: -131.676
flat angles P-C4'-P energy: -83.818
tors. eta vs tors. theta energy: -171.024
Dist. restrs. and SS energy: 17.842 (S_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: 310
Temperature: 1.300000
Total energy: -2040.161010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2040.161010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2057.419160 (E_RNA)
where:
Base-Base interactions energy: -1420.970
where: short stacking energy: -562.996
Base-Backbone interact. energy: -1.838
local terms energy: -634.611132
where:
bonds (distance) C4'-P energy: -118.467
bonds (distance) P-C4' energy: -118.479
flat angles C4'-P-C4' energy: -138.950
flat angles P-C4'-P energy: -81.862
tors. eta vs tors. theta energy: -176.853
Dist. restrs. and SS energy: 17.258 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -2004.379630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2004.379630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2023.536737 (E_RNA)
where:
Base-Base interactions energy: -1440.544
where: short stacking energy: -581.181
Base-Backbone interact. energy: -2.280
local terms energy: -580.712810
where:
bonds (distance) C4'-P energy: -110.071
bonds (distance) P-C4' energy: -109.128
flat angles C4'-P-C4' energy: -125.163
flat angles P-C4'-P energy: -70.281
tors. eta vs tors. theta energy: -166.069
Dist. restrs. and SS energy: 19.157 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -2787.062510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2787.062510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2790.126862 (E_RNA)
where:
Base-Base interactions energy: -1956.678
where: short stacking energy: -816.602
Base-Backbone interact. energy: -1.104
local terms energy: -832.345096
where:
bonds (distance) C4'-P energy: -129.495
bonds (distance) P-C4' energy: -158.179
flat angles C4'-P-C4' energy: -173.192
flat angles P-C4'-P energy: -120.950
tors. eta vs tors. theta energy: -250.529
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: 2, replica: 8
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -2657.582195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2657.582195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2661.032443 (E_RNA)
where:
Base-Base interactions energy: -1831.863
where: short stacking energy: -776.451
Base-Backbone interact. energy: -1.345
local terms energy: -827.824584
where:
bonds (distance) C4'-P energy: -143.127
bonds (distance) P-C4' energy: -154.935
flat angles C4'-P-C4' energy: -167.638
flat angles P-C4'-P energy: -128.995
tors. eta vs tors. theta energy: -233.130
Dist. restrs. and SS energy: 3.450 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -2644.159738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2644.159738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2646.856024 (E_RNA)
where:
Base-Base interactions energy: -1873.723
where: short stacking energy: -793.430
Base-Backbone interact. energy: -0.156
local terms energy: -772.977528
where:
bonds (distance) C4'-P energy: -134.809
bonds (distance) P-C4' energy: -135.376
flat angles C4'-P-C4' energy: -161.010
flat angles P-C4'-P energy: -93.083
tors. eta vs tors. theta energy: -248.700
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: 10
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -2478.094129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2478.094129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2487.335231 (E_RNA)
where:
Base-Base interactions energy: -1712.419
where: short stacking energy: -720.323
Base-Backbone interact. energy: -2.167
local terms energy: -772.749842
where:
bonds (distance) C4'-P energy: -130.797
bonds (distance) P-C4' energy: -140.444
flat angles C4'-P-C4' energy: -163.571
flat angles P-C4'-P energy: -109.600
tors. eta vs tors. theta energy: -228.338
Dist. restrs. and SS energy: 9.241 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -2446.373563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2446.373563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2456.082267 (E_RNA)
where:
Base-Base interactions energy: -1732.466
where: short stacking energy: -722.173
Base-Backbone interact. energy: -0.929
local terms energy: -722.686966
where:
bonds (distance) C4'-P energy: -136.482
bonds (distance) P-C4' energy: -126.364
flat angles C4'-P-C4' energy: -156.943
flat angles P-C4'-P energy: -94.674
tors. eta vs tors. theta energy: -208.224
Dist. restrs. and SS energy: 9.709 (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: 7
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -2316.550947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2316.550947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2326.825967 (E_RNA)
where:
Base-Base interactions energy: -1659.844
where: short stacking energy: -690.458
Base-Backbone interact. energy: -0.191
local terms energy: -666.790644
where:
bonds (distance) C4'-P energy: -102.695
bonds (distance) P-C4' energy: -137.236
flat angles C4'-P-C4' energy: -149.958
flat angles P-C4'-P energy: -86.323
tors. eta vs tors. theta energy: -190.579
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: 7, replica: 1
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -2211.591535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2211.591535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2221.076959 (E_RNA)
where:
Base-Base interactions energy: -1563.197
where: short stacking energy: -634.693
Base-Backbone interact. energy: -1.717
local terms energy: -656.163110
where:
bonds (distance) C4'-P energy: -133.959
bonds (distance) P-C4' energy: -104.038
flat angles C4'-P-C4' energy: -148.094
flat angles P-C4'-P energy: -93.384
tors. eta vs tors. theta energy: -176.688
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: 8, replica: 4
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -2154.539491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2154.539491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2177.062807 (E_RNA)
where:
Base-Base interactions energy: -1507.633
where: short stacking energy: -640.432
Base-Backbone interact. energy: -0.461
local terms energy: -668.968573
where:
bonds (distance) C4'-P energy: -124.717
bonds (distance) P-C4' energy: -131.691
flat angles C4'-P-C4' energy: -135.938
flat angles P-C4'-P energy: -85.188
tors. eta vs tors. theta energy: -191.434
Dist. restrs. and SS energy: 22.523 (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: 9
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -2090.910531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2090.910531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2104.956028 (E_RNA)
where:
Base-Base interactions energy: -1501.373
where: short stacking energy: -633.369
Base-Backbone interact. energy: 1.647
local terms energy: -605.230339
where:
bonds (distance) C4'-P energy: -110.782
bonds (distance) P-C4' energy: -103.850
flat angles C4'-P-C4' energy: -122.738
flat angles P-C4'-P energy: -85.470
tors. eta vs tors. theta energy: -182.390
Dist. restrs. and SS energy: 14.045 (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: 6
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -2031.866182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2031.866182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2058.948530 (E_RNA)
where:
Base-Base interactions energy: -1478.544
where: short stacking energy: -608.701
Base-Backbone interact. energy: -1.787
local terms energy: -578.617094
where:
bonds (distance) C4'-P energy: -84.943
bonds (distance) P-C4' energy: -126.492
flat angles C4'-P-C4' energy: -131.777
flat angles P-C4'-P energy: -71.978
tors. eta vs tors. theta energy: -163.427
Dist. restrs. and SS energy: 27.082 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -2782.510560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2782.510560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2788.015514 (E_RNA)
where:
Base-Base interactions energy: -1972.187
where: short stacking energy: -846.461
Base-Backbone interact. energy: -1.471
local terms energy: -814.357565
where:
bonds (distance) C4'-P energy: -147.359
bonds (distance) P-C4' energy: -140.524
flat angles C4'-P-C4' energy: -164.376
flat angles P-C4'-P energy: -107.912
tors. eta vs tors. theta energy: -254.187
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: 2, replica: 8
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -2629.458119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2629.458119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2633.333800 (E_RNA)
where:
Base-Base interactions energy: -1825.291
where: short stacking energy: -785.451
Base-Backbone interact. energy: 2.241
local terms energy: -810.283922
where:
bonds (distance) C4'-P energy: -143.741
bonds (distance) P-C4' energy: -140.671
flat angles C4'-P-C4' energy: -170.798
flat angles P-C4'-P energy: -117.247
tors. eta vs tors. theta energy: -237.826
Dist. restrs. and SS energy: 3.876 (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: 5
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -2630.822305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2630.822305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2634.534753 (E_RNA)
where:
Base-Base interactions energy: -1847.666
where: short stacking energy: -802.464
Base-Backbone interact. energy: -8.021
local terms energy: -778.848421
where:
bonds (distance) C4'-P energy: -138.135
bonds (distance) P-C4' energy: -127.316
flat angles C4'-P-C4' energy: -169.008
flat angles P-C4'-P energy: -94.325
tors. eta vs tors. theta energy: -250.064
Dist. restrs. and SS energy: 3.712 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -2506.399288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2506.399288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2514.929538 (E_RNA)
where:
Base-Base interactions energy: -1760.234
where: short stacking energy: -735.598
Base-Backbone interact. energy: -3.678
local terms energy: -751.016852
where:
bonds (distance) C4'-P energy: -133.206
bonds (distance) P-C4' energy: -139.338
flat angles C4'-P-C4' energy: -152.910
flat angles P-C4'-P energy: -97.149
tors. eta vs tors. theta energy: -228.414
Dist. restrs. and SS energy: 8.530 (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: 3
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -2446.987589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2446.987589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2455.177295 (E_RNA)
where:
Base-Base interactions energy: -1716.410
where: short stacking energy: -729.191
Base-Backbone interact. energy: -1.212
local terms energy: -737.554837
where:
bonds (distance) C4'-P energy: -132.546
bonds (distance) P-C4' energy: -139.167
flat angles C4'-P-C4' energy: -148.330
flat angles P-C4'-P energy: -108.016
tors. eta vs tors. theta energy: -209.496
Dist. restrs. and SS energy: 8.190 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -2352.193935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2352.193935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2362.177570 (E_RNA)
where:
Base-Base interactions energy: -1649.666
where: short stacking energy: -683.525
Base-Backbone interact. energy: -2.852
local terms energy: -709.659227
where:
bonds (distance) C4'-P energy: -116.401
bonds (distance) P-C4' energy: -130.314
flat angles C4'-P-C4' energy: -149.819
flat angles P-C4'-P energy: -94.844
tors. eta vs tors. theta energy: -218.281
Dist. restrs. and SS energy: 9.984 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -2211.064256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2211.064256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2221.707997 (E_RNA)
where:
Base-Base interactions energy: -1584.119
where: short stacking energy: -655.307
Base-Backbone interact. energy: 0.536
local terms energy: -638.125153
where:
bonds (distance) C4'-P energy: -127.274
bonds (distance) P-C4' energy: -123.052
flat angles C4'-P-C4' energy: -133.965
flat angles P-C4'-P energy: -83.190
tors. eta vs tors. theta energy: -170.645
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: 8, replica: 4
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -2161.356626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2161.356626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2171.730062 (E_RNA)
where:
Base-Base interactions energy: -1507.877
where: short stacking energy: -640.867
Base-Backbone interact. energy: -3.142
local terms energy: -660.710694
where:
bonds (distance) C4'-P energy: -107.194
bonds (distance) P-C4' energy: -134.648
flat angles C4'-P-C4' energy: -148.317
flat angles P-C4'-P energy: -86.963
tors. eta vs tors. theta energy: -183.588
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: 9
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -2060.942503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2060.942503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2077.799277 (E_RNA)
where:
Base-Base interactions energy: -1456.934
where: short stacking energy: -625.851
Base-Backbone interact. energy: -2.115
local terms energy: -618.750241
where:
bonds (distance) C4'-P energy: -107.851
bonds (distance) P-C4' energy: -102.463
flat angles C4'-P-C4' energy: -138.549
flat angles P-C4'-P energy: -87.686
tors. eta vs tors. theta energy: -182.201
Dist. restrs. and SS energy: 16.857 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -2005.431675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2005.431675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2026.192974 (E_RNA)
where:
Base-Base interactions energy: -1436.568
where: short stacking energy: -587.425
Base-Backbone interact. energy: 5.671
local terms energy: -595.295743
where:
bonds (distance) C4'-P energy: -107.672
bonds (distance) P-C4' energy: -118.890
flat angles C4'-P-C4' energy: -116.942
flat angles P-C4'-P energy: -82.296
tors. eta vs tors. theta energy: -169.496
Dist. restrs. and SS energy: 20.761 (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: 2
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -2789.677271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2789.677271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2792.102051 (E_RNA)
where:
Base-Base interactions energy: -1976.403
where: short stacking energy: -826.266
Base-Backbone interact. energy: -2.880
local terms energy: -812.819382
where:
bonds (distance) C4'-P energy: -134.688
bonds (distance) P-C4' energy: -137.537
flat angles C4'-P-C4' energy: -176.460
flat angles P-C4'-P energy: -120.767
tors. eta vs tors. theta energy: -243.368
Dist. restrs. and SS energy: 2.425 (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: 8
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -2641.514053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2641.514053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2643.477804 (E_RNA)
where:
Base-Base interactions energy: -1832.061
where: short stacking energy: -789.675
Base-Backbone interact. energy: -1.907
local terms energy: -809.509398
where:
bonds (distance) C4'-P energy: -147.739
bonds (distance) P-C4' energy: -143.452
flat angles C4'-P-C4' energy: -162.040
flat angles P-C4'-P energy: -111.976
tors. eta vs tors. theta energy: -244.303
Dist. restrs. and SS energy: 1.964 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -2646.357668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2646.357668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2652.773685 (E_RNA)
where:
Base-Base interactions energy: -1846.589
where: short stacking energy: -776.262
Base-Backbone interact. energy: -5.371
local terms energy: -800.813237
where:
bonds (distance) C4'-P energy: -150.790
bonds (distance) P-C4' energy: -120.722
flat angles C4'-P-C4' energy: -182.516
flat angles P-C4'-P energy: -116.554
tors. eta vs tors. theta energy: -230.231
Dist. restrs. and SS energy: 6.416 (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: 10
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -2511.933653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2511.933653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2519.738192 (E_RNA)
where:
Base-Base interactions energy: -1761.112
where: short stacking energy: -755.932
Base-Backbone interact. energy: -2.342
local terms energy: -756.284609
where:
bonds (distance) C4'-P energy: -133.268
bonds (distance) P-C4' energy: -139.756
flat angles C4'-P-C4' energy: -157.901
flat angles P-C4'-P energy: -100.682
tors. eta vs tors. theta energy: -224.678
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: 5, replica: 3
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -2438.823983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2438.823983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2449.266407 (E_RNA)
where:
Base-Base interactions energy: -1724.749
where: short stacking energy: -702.322
Base-Backbone interact. energy: 5.482
local terms energy: -729.999603
where:
bonds (distance) C4'-P energy: -121.094
bonds (distance) P-C4' energy: -127.873
flat angles C4'-P-C4' energy: -160.630
flat angles P-C4'-P energy: -114.100
tors. eta vs tors. theta energy: -206.302
Dist. restrs. and SS energy: 10.442 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -2320.464703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2320.464703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2331.061550 (E_RNA)
where:
Base-Base interactions energy: -1602.316
where: short stacking energy: -681.037
Base-Backbone interact. energy: -1.947
local terms energy: -726.798674
where:
bonds (distance) C4'-P energy: -140.211
bonds (distance) P-C4' energy: -118.640
flat angles C4'-P-C4' energy: -161.889
flat angles P-C4'-P energy: -99.919
tors. eta vs tors. theta energy: -206.140
Dist. restrs. and SS energy: 10.597 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -2191.489956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2191.489956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2203.501059 (E_RNA)
where:
Base-Base interactions energy: -1535.098
where: short stacking energy: -640.520
Base-Backbone interact. energy: -2.789
local terms energy: -665.613953
where:
bonds (distance) C4'-P energy: -118.665
bonds (distance) P-C4' energy: -129.168
flat angles C4'-P-C4' energy: -139.171
flat angles P-C4'-P energy: -102.232
tors. eta vs tors. theta energy: -176.379
Dist. restrs. and SS energy: 12.011 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -2182.742850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2182.742850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2193.472767 (E_RNA)
where:
Base-Base interactions energy: -1539.389
where: short stacking energy: -655.479
Base-Backbone interact. energy: -4.723
local terms energy: -649.360793
where:
bonds (distance) C4'-P energy: -112.023
bonds (distance) P-C4' energy: -128.970
flat angles C4'-P-C4' energy: -128.798
flat angles P-C4'-P energy: -91.229
tors. eta vs tors. theta energy: -188.340
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: 9, replica: 9
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -2072.495365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2072.495365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2083.824925 (E_RNA)
where:
Base-Base interactions energy: -1451.792
where: short stacking energy: -607.506
Base-Backbone interact. energy: -2.551
local terms energy: -629.481784
where:
bonds (distance) C4'-P energy: -117.361
bonds (distance) P-C4' energy: -125.665
flat angles C4'-P-C4' energy: -139.666
flat angles P-C4'-P energy: -84.784
tors. eta vs tors. theta energy: -162.006
Dist. restrs. and SS energy: 11.330 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -2026.855629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2026.855629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2041.898244 (E_RNA)
where:
Base-Base interactions energy: -1438.833
where: short stacking energy: -586.111
Base-Backbone interact. energy: -1.207
local terms energy: -601.857692
where:
bonds (distance) C4'-P energy: -104.716
bonds (distance) P-C4' energy: -114.447
flat angles C4'-P-C4' energy: -140.983
flat angles P-C4'-P energy: -75.370
tors. eta vs tors. theta energy: -166.342
Dist. restrs. and SS energy: 15.043 (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: 2
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -2799.013174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2799.013174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2802.277583 (E_RNA)
where:
Base-Base interactions energy: -1974.337
where: short stacking energy: -836.877
Base-Backbone interact. energy: -2.435
local terms energy: -825.505936
where:
bonds (distance) C4'-P energy: -136.213
bonds (distance) P-C4' energy: -141.688
flat angles C4'-P-C4' energy: -169.449
flat angles P-C4'-P energy: -126.405
tors. eta vs tors. theta energy: -251.751
Dist. restrs. and SS energy: 3.264 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -2628.233859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2628.233859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2633.715373 (E_RNA)
where:
Base-Base interactions energy: -1846.927
where: short stacking energy: -789.300
Base-Backbone interact. energy: 0.059
local terms energy: -786.847180
where:
bonds (distance) C4'-P energy: -136.751
bonds (distance) P-C4' energy: -138.739
flat angles C4'-P-C4' energy: -159.970
flat angles P-C4'-P energy: -112.550
tors. eta vs tors. theta energy: -238.837
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: 5
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -2632.910192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2632.910192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2637.628157 (E_RNA)
where:
Base-Base interactions energy: -1852.050
where: short stacking energy: -787.238
Base-Backbone interact. energy: -2.215
local terms energy: -783.363788
where:
bonds (distance) C4'-P energy: -128.844
bonds (distance) P-C4' energy: -140.289
flat angles C4'-P-C4' energy: -165.497
flat angles P-C4'-P energy: -118.727
tors. eta vs tors. theta energy: -230.008
Dist. restrs. and SS energy: 4.718 (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: 10
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -2484.982418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2484.982418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2489.628493 (E_RNA)
where:
Base-Base interactions energy: -1744.550
where: short stacking energy: -747.866
Base-Backbone interact. energy: -1.819
local terms energy: -743.259457
where:
bonds (distance) C4'-P energy: -126.745
bonds (distance) P-C4' energy: -129.681
flat angles C4'-P-C4' energy: -146.637
flat angles P-C4'-P energy: -112.551
tors. eta vs tors. theta energy: -227.645
Dist. restrs. and SS energy: 4.646 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -2430.797438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2430.797438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2439.543183 (E_RNA)
where:
Base-Base interactions energy: -1720.884
where: short stacking energy: -715.520
Base-Backbone interact. energy: -2.323
local terms energy: -716.336202
where:
bonds (distance) C4'-P energy: -129.316
bonds (distance) P-C4' energy: -135.940
flat angles C4'-P-C4' energy: -151.441
flat angles P-C4'-P energy: -90.507
tors. eta vs tors. theta energy: -209.132
Dist. restrs. and SS energy: 8.746 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -2337.520086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2337.520086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2347.269262 (E_RNA)
where:
Base-Base interactions energy: -1647.775
where: short stacking energy: -692.816
Base-Backbone interact. energy: 2.940
local terms energy: -702.434051
where:
bonds (distance) C4'-P energy: -121.423
bonds (distance) P-C4' energy: -126.934
flat angles C4'-P-C4' energy: -149.920
flat angles P-C4'-P energy: -87.973
tors. eta vs tors. theta energy: -216.184
Dist. restrs. and SS energy: 9.749 (S_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: 314
Temperature: 1.200000
Total energy: -2242.283727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2242.283727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2262.433334 (E_RNA)
where:
Base-Base interactions energy: -1590.147
where: short stacking energy: -652.060
Base-Backbone interact. energy: -2.746
local terms energy: -669.540823
where:
bonds (distance) C4'-P energy: -110.643
bonds (distance) P-C4' energy: -115.465
flat angles C4'-P-C4' energy: -138.454
flat angles P-C4'-P energy: -105.937
tors. eta vs tors. theta energy: -199.042
Dist. restrs. and SS energy: 20.150 (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: 314
Temperature: 1.250000
Total energy: -2216.465309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2216.465309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2228.559212 (E_RNA)
where:
Base-Base interactions energy: -1549.477
where: short stacking energy: -654.141
Base-Backbone interact. energy: -2.811
local terms energy: -676.271866
where:
bonds (distance) C4'-P energy: -155.227
bonds (distance) P-C4' energy: -95.573
flat angles C4'-P-C4' energy: -154.525
flat angles P-C4'-P energy: -84.864
tors. eta vs tors. theta energy: -186.082
Dist. restrs. and SS energy: 12.094 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -2131.990091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2131.990091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2149.074414 (E_RNA)
where:
Base-Base interactions energy: -1498.534
where: short stacking energy: -617.067
Base-Backbone interact. energy: 1.009
local terms energy: -651.549287
where:
bonds (distance) C4'-P energy: -109.941
bonds (distance) P-C4' energy: -117.921
flat angles C4'-P-C4' energy: -145.338
flat angles P-C4'-P energy: -101.031
tors. eta vs tors. theta energy: -177.318
Dist. restrs. and SS energy: 17.084 (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: 314
Temperature: 1.350000
Total energy: -2008.183825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2008.183825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2030.306074 (E_RNA)
where:
Base-Base interactions energy: -1414.864
where: short stacking energy: -595.739
Base-Backbone interact. energy: -1.441
local terms energy: -614.001911
where:
bonds (distance) C4'-P energy: -129.411
bonds (distance) P-C4' energy: -112.850
flat angles C4'-P-C4' energy: -131.228
flat angles P-C4'-P energy: -65.453
tors. eta vs tors. theta energy: -175.061
Dist. restrs. and SS energy: 22.122 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -2808.699095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2808.699095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2812.126510 (E_RNA)
where:
Base-Base interactions energy: -1952.498
where: short stacking energy: -806.211
Base-Backbone interact. energy: -2.869
local terms energy: -856.759503
where:
bonds (distance) C4'-P energy: -142.237
bonds (distance) P-C4' energy: -167.285
flat angles C4'-P-C4' energy: -181.068
flat angles P-C4'-P energy: -114.381
tors. eta vs tors. theta energy: -251.790
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: 8
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -2699.225370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2699.225370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2701.962643 (E_RNA)
where:
Base-Base interactions energy: -1887.798
where: short stacking energy: -813.193
Base-Backbone interact. energy: -1.512
local terms energy: -812.653281
where:
bonds (distance) C4'-P energy: -148.832
bonds (distance) P-C4' energy: -145.247
flat angles C4'-P-C4' energy: -159.913
flat angles P-C4'-P energy: -115.332
tors. eta vs tors. theta energy: -243.330
Dist. restrs. and SS energy: 2.737 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -2645.086757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2645.086757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2650.963182 (E_RNA)
where:
Base-Base interactions energy: -1872.981
where: short stacking energy: -783.948
Base-Backbone interact. energy: -2.705
local terms energy: -775.276948
where:
bonds (distance) C4'-P energy: -126.589
bonds (distance) P-C4' energy: -138.280
flat angles C4'-P-C4' energy: -160.828
flat angles P-C4'-P energy: -124.278
tors. eta vs tors. theta energy: -225.301
Dist. restrs. and SS energy: 5.876 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -2485.818709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2485.818709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2493.105379 (E_RNA)
where:
Base-Base interactions energy: -1758.908
where: short stacking energy: -764.496
Base-Backbone interact. energy: -1.552
local terms energy: -732.645111
where:
bonds (distance) C4'-P energy: -121.049
bonds (distance) P-C4' energy: -141.236
flat angles C4'-P-C4' energy: -151.694
flat angles P-C4'-P energy: -99.835
tors. eta vs tors. theta energy: -218.831
Dist. restrs. and SS energy: 7.287 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -2428.905825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2428.905825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2435.891337 (E_RNA)
where:
Base-Base interactions energy: -1696.370
where: short stacking energy: -729.671
Base-Backbone interact. energy: -0.705
local terms energy: -738.817166
where:
bonds (distance) C4'-P energy: -137.979
bonds (distance) P-C4' energy: -127.526
flat angles C4'-P-C4' energy: -163.265
flat angles P-C4'-P energy: -87.474
tors. eta vs tors. theta energy: -222.573
Dist. restrs. and SS energy: 6.986 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -2335.959422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2335.959422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2349.922485 (E_RNA)
where:
Base-Base interactions energy: -1635.193
where: short stacking energy: -699.950
Base-Backbone interact. energy: 1.331
local terms energy: -716.060045
where:
bonds (distance) C4'-P energy: -115.489
bonds (distance) P-C4' energy: -136.718
flat angles C4'-P-C4' energy: -155.512
flat angles P-C4'-P energy: -106.597
tors. eta vs tors. theta energy: -201.743
Dist. restrs. and SS energy: 13.963 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -2231.757908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2231.757908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2243.267331 (E_RNA)
where:
Base-Base interactions energy: -1543.165
where: short stacking energy: -685.871
Base-Backbone interact. energy: 3.783
local terms energy: -703.885618
where:
bonds (distance) C4'-P energy: -134.246
bonds (distance) P-C4' energy: -124.421
flat angles C4'-P-C4' energy: -157.878
flat angles P-C4'-P energy: -96.647
tors. eta vs tors. theta energy: -190.694
Dist. restrs. and SS energy: 11.509 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -2257.269911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2257.269911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2270.713734 (E_RNA)
where:
Base-Base interactions energy: -1582.449
where: short stacking energy: -654.690
Base-Backbone interact. energy: 2.111
local terms energy: -690.376591
where:
bonds (distance) C4'-P energy: -122.815
bonds (distance) P-C4' energy: -126.840
flat angles C4'-P-C4' energy: -163.444
flat angles P-C4'-P energy: -93.064
tors. eta vs tors. theta energy: -184.213
Dist. restrs. and SS energy: 13.444 (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: 9
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -2120.658212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2120.658212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2138.489099 (E_RNA)
where:
Base-Base interactions energy: -1522.432
where: short stacking energy: -633.723
Base-Backbone interact. energy: -2.834
local terms energy: -613.223128
where:
bonds (distance) C4'-P energy: -99.277
bonds (distance) P-C4' energy: -113.093
flat angles C4'-P-C4' energy: -135.703
flat angles P-C4'-P energy: -86.034
tors. eta vs tors. theta energy: -179.116
Dist. restrs. and SS energy: 17.831 (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: 6
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -2056.675547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2056.675547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2068.071426 (E_RNA)
where:
Base-Base interactions energy: -1437.711
where: short stacking energy: -590.552
Base-Backbone interact. energy: -2.135
local terms energy: -628.224631
where:
bonds (distance) C4'-P energy: -115.091
bonds (distance) P-C4' energy: -127.164
flat angles C4'-P-C4' energy: -132.130
flat angles P-C4'-P energy: -87.594
tors. eta vs tors. theta energy: -166.246
Dist. restrs. and SS energy: 11.396 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -2798.600903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2798.600903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2800.787412 (E_RNA)
where:
Base-Base interactions energy: -1956.531
where: short stacking energy: -820.618
Base-Backbone interact. energy: -2.478
local terms energy: -841.778900
where:
bonds (distance) C4'-P energy: -147.991
bonds (distance) P-C4' energy: -161.026
flat angles C4'-P-C4' energy: -167.068
flat angles P-C4'-P energy: -112.901
tors. eta vs tors. theta energy: -252.793
Dist. restrs. and SS energy: 2.187 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -2649.665639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2649.665639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2655.679329 (E_RNA)
where:
Base-Base interactions energy: -1844.969
where: short stacking energy: -811.099
Base-Backbone interact. energy: -0.048
local terms energy: -810.662150
where:
bonds (distance) C4'-P energy: -146.487
bonds (distance) P-C4' energy: -137.916
flat angles C4'-P-C4' energy: -173.030
flat angles P-C4'-P energy: -118.585
tors. eta vs tors. theta energy: -234.643
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: 5
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -2643.902059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2643.902059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2647.696581 (E_RNA)
where:
Base-Base interactions energy: -1868.723
where: short stacking energy: -788.999
Base-Backbone interact. energy: -3.086
local terms energy: -775.887307
where:
bonds (distance) C4'-P energy: -143.145
bonds (distance) P-C4' energy: -135.344
flat angles C4'-P-C4' energy: -165.052
flat angles P-C4'-P energy: -103.752
tors. eta vs tors. theta energy: -228.595
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: 4, replica: 3
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -2509.836621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2509.836621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2515.423377 (E_RNA)
where:
Base-Base interactions energy: -1735.603
where: short stacking energy: -718.992
Base-Backbone interact. energy: -1.999
local terms energy: -777.821037
where:
bonds (distance) C4'-P energy: -145.278
bonds (distance) P-C4' energy: -144.511
flat angles C4'-P-C4' energy: -158.073
flat angles P-C4'-P energy: -104.481
tors. eta vs tors. theta energy: -225.479
Dist. restrs. and SS energy: 5.587 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -2405.974569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2405.974569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2412.144899 (E_RNA)
where:
Base-Base interactions energy: -1698.061
where: short stacking energy: -725.928
Base-Backbone interact. energy: 0.172
local terms energy: -714.255675
where:
bonds (distance) C4'-P energy: -107.627
bonds (distance) P-C4' energy: -122.749
flat angles C4'-P-C4' energy: -152.158
flat angles P-C4'-P energy: -112.021
tors. eta vs tors. theta energy: -219.701
Dist. restrs. and SS energy: 6.170 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -2353.233710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2353.233710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2364.530807 (E_RNA)
where:
Base-Base interactions energy: -1638.369
where: short stacking energy: -670.255
Base-Backbone interact. energy: -5.479
local terms energy: -720.683142
where:
bonds (distance) C4'-P energy: -131.660
bonds (distance) P-C4' energy: -130.216
flat angles C4'-P-C4' energy: -153.134
flat angles P-C4'-P energy: -98.272
tors. eta vs tors. theta energy: -207.400
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: 7, replica: 4
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -2235.754067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2235.754067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2252.662593 (E_RNA)
where:
Base-Base interactions energy: -1588.453
where: short stacking energy: -636.793
Base-Backbone interact. energy: -3.380
local terms energy: -660.829476
where:
bonds (distance) C4'-P energy: -112.958
bonds (distance) P-C4' energy: -119.908
flat angles C4'-P-C4' energy: -151.060
flat angles P-C4'-P energy: -95.138
tors. eta vs tors. theta energy: -181.766
Dist. restrs. and SS energy: 16.909 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -2165.887808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2165.887808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2179.454077 (E_RNA)
where:
Base-Base interactions energy: -1542.347
where: short stacking energy: -625.003
Base-Backbone interact. energy: -3.464
local terms energy: -633.642917
where:
bonds (distance) C4'-P energy: -85.746
bonds (distance) P-C4' energy: -122.415
flat angles C4'-P-C4' energy: -165.330
flat angles P-C4'-P energy: -86.151
tors. eta vs tors. theta energy: -174.001
Dist. restrs. and SS energy: 13.566 (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: 9
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -2057.895089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2057.895089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2077.055771 (E_RNA)
where:
Base-Base interactions energy: -1454.418
where: short stacking energy: -596.374
Base-Backbone interact. energy: -2.573
local terms energy: -620.064540
where:
bonds (distance) C4'-P energy: -122.803
bonds (distance) P-C4' energy: -123.137
flat angles C4'-P-C4' energy: -120.914
flat angles P-C4'-P energy: -77.963
tors. eta vs tors. theta energy: -175.247
Dist. restrs. and SS energy: 19.161 (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: 316
Temperature: 1.350000
Total energy: -2026.931171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2026.931171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2035.996143 (E_RNA)
where:
Base-Base interactions energy: -1450.184
where: short stacking energy: -587.915
Base-Backbone interact. energy: 3.649
local terms energy: -589.461484
where:
bonds (distance) C4'-P energy: -101.819
bonds (distance) P-C4' energy: -101.398
flat angles C4'-P-C4' energy: -125.964
flat angles P-C4'-P energy: -90.932
tors. eta vs tors. theta energy: -169.349
Dist. restrs. and SS energy: 9.065 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -2777.801197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2777.801197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2780.110178 (E_RNA)
where:
Base-Base interactions energy: -1935.810
where: short stacking energy: -813.496
Base-Backbone interact. energy: -0.625
local terms energy: -843.675371
where:
bonds (distance) C4'-P energy: -152.048
bonds (distance) P-C4' energy: -139.333
flat angles C4'-P-C4' energy: -182.381
flat angles P-C4'-P energy: -117.852
tors. eta vs tors. theta energy: -252.061
Dist. restrs. and SS energy: 2.309 (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: 8
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -2655.422945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2655.422945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2658.463880 (E_RNA)
where:
Base-Base interactions energy: -1839.305
where: short stacking energy: -800.814
Base-Backbone interact. energy: -1.966
local terms energy: -817.192513
where:
bonds (distance) C4'-P energy: -147.430
bonds (distance) P-C4' energy: -141.268
flat angles C4'-P-C4' energy: -167.482
flat angles P-C4'-P energy: -122.075
tors. eta vs tors. theta energy: -238.938
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: 3, replica: 5
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -2603.729271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2603.729271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2607.224471 (E_RNA)
where:
Base-Base interactions energy: -1839.346
where: short stacking energy: -791.391
Base-Backbone interact. energy: -0.797
local terms energy: -767.080937
where:
bonds (distance) C4'-P energy: -122.405
bonds (distance) P-C4' energy: -145.726
flat angles C4'-P-C4' energy: -158.535
flat angles P-C4'-P energy: -110.743
tors. eta vs tors. theta energy: -229.671
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: 4, replica: 3
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -2501.735323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2501.735323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2510.371577 (E_RNA)
where:
Base-Base interactions energy: -1746.969
where: short stacking energy: -722.058
Base-Backbone interact. energy: -3.693
local terms energy: -759.709831
where:
bonds (distance) C4'-P energy: -132.469
bonds (distance) P-C4' energy: -145.219
flat angles C4'-P-C4' energy: -167.306
flat angles P-C4'-P energy: -102.902
tors. eta vs tors. theta energy: -211.815
Dist. restrs. and SS energy: 8.636 (S_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: 317
Temperature: 1.100000
Total energy: -2423.671249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2423.671249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2430.390287 (E_RNA)
where:
Base-Base interactions energy: -1709.035
where: short stacking energy: -727.331
Base-Backbone interact. energy: -2.000
local terms energy: -719.354957
where:
bonds (distance) C4'-P energy: -117.124
bonds (distance) P-C4' energy: -130.618
flat angles C4'-P-C4' energy: -156.255
flat angles P-C4'-P energy: -100.123
tors. eta vs tors. theta energy: -215.235
Dist. restrs. and SS energy: 6.719 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -2386.362080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2386.362080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2395.040456 (E_RNA)
where:
Base-Base interactions energy: -1720.137
where: short stacking energy: -713.447
Base-Backbone interact. energy: 3.016
local terms energy: -677.919531
where:
bonds (distance) C4'-P energy: -124.809
bonds (distance) P-C4' energy: -121.192
flat angles C4'-P-C4' energy: -152.357
flat angles P-C4'-P energy: -80.174
tors. eta vs tors. theta energy: -199.387
Dist. restrs. and SS energy: 8.678 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -2240.969058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2240.969058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2254.416542 (E_RNA)
where:
Base-Base interactions energy: -1563.293
where: short stacking energy: -650.893
Base-Backbone interact. energy: -3.075
local terms energy: -688.048448
where:
bonds (distance) C4'-P energy: -121.460
bonds (distance) P-C4' energy: -119.880
flat angles C4'-P-C4' energy: -149.101
flat angles P-C4'-P energy: -93.833
tors. eta vs tors. theta energy: -203.774
Dist. restrs. and SS energy: 13.447 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -2132.221401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2132.221401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2144.174764 (E_RNA)
where:
Base-Base interactions energy: -1514.227
where: short stacking energy: -602.318
Base-Backbone interact. energy: -5.315
local terms energy: -624.633410
where:
bonds (distance) C4'-P energy: -113.390
bonds (distance) P-C4' energy: -117.930
flat angles C4'-P-C4' energy: -137.006
flat angles P-C4'-P energy: -83.178
tors. eta vs tors. theta energy: -173.131
Dist. restrs. and SS energy: 11.953 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -2012.277871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2012.277871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2032.529148 (E_RNA)
where:
Base-Base interactions energy: -1399.238
where: short stacking energy: -585.660
Base-Backbone interact. energy: 0.666
local terms energy: -633.956898
where:
bonds (distance) C4'-P energy: -116.565
bonds (distance) P-C4' energy: -133.844
flat angles C4'-P-C4' energy: -145.160
flat angles P-C4'-P energy: -75.914
tors. eta vs tors. theta energy: -162.474
Dist. restrs. and SS energy: 20.251 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -1957.350658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1957.350658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1977.069055 (E_RNA)
where:
Base-Base interactions energy: -1382.972
where: short stacking energy: -579.277
Base-Backbone interact. energy: 0.609
local terms energy: -594.705894
where:
bonds (distance) C4'-P energy: -106.257
bonds (distance) P-C4' energy: -110.117
flat angles C4'-P-C4' energy: -125.949
flat angles P-C4'-P energy: -97.918
tors. eta vs tors. theta energy: -154.464
Dist. restrs. and SS energy: 19.718 (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: 2
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -2811.013825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2811.013825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2815.388064 (E_RNA)
where:
Base-Base interactions energy: -1970.677
where: short stacking energy: -832.231
Base-Backbone interact. energy: -3.873
local terms energy: -840.838814
where:
bonds (distance) C4'-P energy: -141.518
bonds (distance) P-C4' energy: -149.628
flat angles C4'-P-C4' energy: -183.133
flat angles P-C4'-P energy: -114.663
tors. eta vs tors. theta energy: -251.896
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: 2, replica: 8
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -2652.074179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2652.074179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2655.036973 (E_RNA)
where:
Base-Base interactions energy: -1857.239
where: short stacking energy: -810.864
Base-Backbone interact. energy: 0.982
local terms energy: -798.780316
where:
bonds (distance) C4'-P energy: -147.034
bonds (distance) P-C4' energy: -152.842
flat angles C4'-P-C4' energy: -158.490
flat angles P-C4'-P energy: -101.500
tors. eta vs tors. theta energy: -238.915
Dist. restrs. and SS energy: 2.963 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -2631.475228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2631.475228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2636.164531 (E_RNA)
where:
Base-Base interactions energy: -1837.325
where: short stacking energy: -785.359
Base-Backbone interact. energy: -0.917
local terms energy: -797.922660
where:
bonds (distance) C4'-P energy: -139.212
bonds (distance) P-C4' energy: -147.958
flat angles C4'-P-C4' energy: -158.637
flat angles P-C4'-P energy: -118.528
tors. eta vs tors. theta energy: -233.588
Dist. restrs. and SS energy: 4.689 (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: 3
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -2494.889891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2494.889891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2500.558899 (E_RNA)
where:
Base-Base interactions energy: -1755.755
where: short stacking energy: -724.504
Base-Backbone interact. energy: 0.201
local terms energy: -745.005479
where:
bonds (distance) C4'-P energy: -125.715
bonds (distance) P-C4' energy: -133.963
flat angles C4'-P-C4' energy: -159.212
flat angles P-C4'-P energy: -110.651
tors. eta vs tors. theta energy: -215.464
Dist. restrs. and SS energy: 5.669 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -2426.374018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2426.374018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2431.937891 (E_RNA)
where:
Base-Base interactions energy: -1694.481
where: short stacking energy: -713.522
Base-Backbone interact. energy: -0.827
local terms energy: -736.629638
where:
bonds (distance) C4'-P energy: -129.265
bonds (distance) P-C4' energy: -133.237
flat angles C4'-P-C4' energy: -169.669
flat angles P-C4'-P energy: -100.056
tors. eta vs tors. theta energy: -204.403
Dist. restrs. and SS energy: 5.564 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -2340.193708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2340.193708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2349.761611 (E_RNA)
where:
Base-Base interactions energy: -1658.378
where: short stacking energy: -691.000
Base-Backbone interact. energy: -1.399
local terms energy: -689.985069
where:
bonds (distance) C4'-P energy: -120.224
bonds (distance) P-C4' energy: -125.995
flat angles C4'-P-C4' energy: -142.250
flat angles P-C4'-P energy: -94.482
tors. eta vs tors. theta energy: -207.034
Dist. restrs. and SS energy: 9.568 (S_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: 318
Temperature: 1.200000
Total energy: -2192.662416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2192.662416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2207.787655 (E_RNA)
where:
Base-Base interactions energy: -1558.027
where: short stacking energy: -646.950
Base-Backbone interact. energy: -3.101
local terms energy: -646.659551
where:
bonds (distance) C4'-P energy: -106.011
bonds (distance) P-C4' energy: -103.305
flat angles C4'-P-C4' energy: -157.673
flat angles P-C4'-P energy: -87.659
tors. eta vs tors. theta energy: -192.012
Dist. restrs. and SS energy: 15.125 (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: 1
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -2163.863663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2163.863663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2178.865244 (E_RNA)
where:
Base-Base interactions energy: -1512.346
where: short stacking energy: -631.399
Base-Backbone interact. energy: -1.334
local terms energy: -665.184812
where:
bonds (distance) C4'-P energy: -120.760
bonds (distance) P-C4' energy: -128.989
flat angles C4'-P-C4' energy: -156.618
flat angles P-C4'-P energy: -75.098
tors. eta vs tors. theta energy: -183.720
Dist. restrs. and SS energy: 15.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -2040.534445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2040.534445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2059.373271 (E_RNA)
where:
Base-Base interactions energy: -1415.827
where: short stacking energy: -598.518
Base-Backbone interact. energy: 0.218
local terms energy: -643.764304
where:
bonds (distance) C4'-P energy: -109.389
bonds (distance) P-C4' energy: -131.612
flat angles C4'-P-C4' energy: -135.102
flat angles P-C4'-P energy: -86.464
tors. eta vs tors. theta energy: -181.198
Dist. restrs. and SS energy: 18.839 (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: 6
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -1963.833583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1963.833583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1987.819330 (E_RNA)
where:
Base-Base interactions energy: -1401.306
where: short stacking energy: -567.629
Base-Backbone interact. energy: -1.487
local terms energy: -585.025972
where:
bonds (distance) C4'-P energy: -114.944
bonds (distance) P-C4' energy: -113.085
flat angles C4'-P-C4' energy: -127.519
flat angles P-C4'-P energy: -73.237
tors. eta vs tors. theta energy: -156.240
Dist. restrs. and SS energy: 23.986 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -2785.749695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2785.749695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2787.252590 (E_RNA)
where:
Base-Base interactions energy: -1940.938
where: short stacking energy: -816.559
Base-Backbone interact. energy: 0.658
local terms energy: -846.972202
where:
bonds (distance) C4'-P energy: -150.648
bonds (distance) P-C4' energy: -143.913
flat angles C4'-P-C4' energy: -182.994
flat angles P-C4'-P energy: -115.981
tors. eta vs tors. theta energy: -253.435
Dist. restrs. and SS energy: 1.503 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -2667.502070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2667.502070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2674.748019 (E_RNA)
where:
Base-Base interactions energy: -1853.452
where: short stacking energy: -791.664
Base-Backbone interact. energy: -4.080
local terms energy: -817.216225
where:
bonds (distance) C4'-P energy: -143.179
bonds (distance) P-C4' energy: -150.500
flat angles C4'-P-C4' energy: -160.010
flat angles P-C4'-P energy: -128.132
tors. eta vs tors. theta energy: -235.395
Dist. restrs. and SS energy: 7.246 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -2616.104914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2616.104914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2619.612457 (E_RNA)
where:
Base-Base interactions energy: -1821.553
where: short stacking energy: -772.399
Base-Backbone interact. energy: -0.387
local terms energy: -797.672976
where:
bonds (distance) C4'-P energy: -130.289
bonds (distance) P-C4' energy: -140.928
flat angles C4'-P-C4' energy: -162.233
flat angles P-C4'-P energy: -123.778
tors. eta vs tors. theta energy: -240.445
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: 4, replica: 3
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -2477.984440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2477.984440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2484.691796 (E_RNA)
where:
Base-Base interactions energy: -1734.834
where: short stacking energy: -719.257
Base-Backbone interact. energy: -5.487
local terms energy: -744.370219
where:
bonds (distance) C4'-P energy: -133.653
bonds (distance) P-C4' energy: -139.661
flat angles C4'-P-C4' energy: -154.463
flat angles P-C4'-P energy: -103.013
tors. eta vs tors. theta energy: -213.581
Dist. restrs. and SS energy: 6.707 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -2454.686273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2454.686273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2459.143269 (E_RNA)
where:
Base-Base interactions energy: -1724.685
where: short stacking energy: -718.458
Base-Backbone interact. energy: -2.824
local terms energy: -731.634022
where:
bonds (distance) C4'-P energy: -119.003
bonds (distance) P-C4' energy: -139.703
flat angles C4'-P-C4' energy: -168.168
flat angles P-C4'-P energy: -88.969
tors. eta vs tors. theta energy: -215.791
Dist. restrs. and SS energy: 4.457 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -2331.207740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2331.207740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2344.261731 (E_RNA)
where:
Base-Base interactions energy: -1645.907
where: short stacking energy: -688.427
Base-Backbone interact. energy: -1.073
local terms energy: -697.281275
where:
bonds (distance) C4'-P energy: -133.591
bonds (distance) P-C4' energy: -113.356
flat angles C4'-P-C4' energy: -151.651
flat angles P-C4'-P energy: -87.781
tors. eta vs tors. theta energy: -210.902
Dist. restrs. and SS energy: 13.054 (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: 4
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -2220.550822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2220.550822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2236.137788 (E_RNA)
where:
Base-Base interactions energy: -1556.565
where: short stacking energy: -640.046
Base-Backbone interact. energy: -2.193
local terms energy: -677.379327
where:
bonds (distance) C4'-P energy: -110.814
bonds (distance) P-C4' energy: -135.400
flat angles C4'-P-C4' energy: -137.744
flat angles P-C4'-P energy: -94.637
tors. eta vs tors. theta energy: -198.784
Dist. restrs. and SS energy: 15.587 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -2113.579823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2113.579823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2130.456251 (E_RNA)
where:
Base-Base interactions energy: -1504.579
where: short stacking energy: -639.244
Base-Backbone interact. energy: 0.268
local terms energy: -626.145580
where:
bonds (distance) C4'-P energy: -113.166
bonds (distance) P-C4' energy: -106.667
flat angles C4'-P-C4' energy: -131.321
flat angles P-C4'-P energy: -101.172
tors. eta vs tors. theta energy: -173.820
Dist. restrs. and SS energy: 16.876 (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: 9
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -2023.555579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2023.555579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2037.942596 (E_RNA)
where:
Base-Base interactions energy: -1449.363
where: short stacking energy: -586.909
Base-Backbone interact. energy: 0.315
local terms energy: -588.894075
where:
bonds (distance) C4'-P energy: -109.111
bonds (distance) P-C4' energy: -124.709
flat angles C4'-P-C4' energy: -114.834
flat angles P-C4'-P energy: -66.162
tors. eta vs tors. theta energy: -174.077
Dist. restrs. and SS energy: 14.387 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -1978.077955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1978.077955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1992.237307 (E_RNA)
where:
Base-Base interactions energy: -1401.128
where: short stacking energy: -561.078
Base-Backbone interact. energy: -2.630
local terms energy: -588.479300
where:
bonds (distance) C4'-P energy: -122.744
bonds (distance) P-C4' energy: -128.569
flat angles C4'-P-C4' energy: -111.586
flat angles P-C4'-P energy: -68.761
tors. eta vs tors. theta energy: -156.819
Dist. restrs. and SS energy: 14.159 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -2786.161908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2786.161908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2789.078688 (E_RNA)
where:
Base-Base interactions energy: -1949.349
where: short stacking energy: -790.676
Base-Backbone interact. energy: -2.557
local terms energy: -837.172465
where:
bonds (distance) C4'-P energy: -139.009
bonds (distance) P-C4' energy: -148.243
flat angles C4'-P-C4' energy: -178.270
flat angles P-C4'-P energy: -133.469
tors. eta vs tors. theta energy: -238.181
Dist. restrs. and SS energy: 2.917 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -2660.602277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2660.602277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2666.595817 (E_RNA)
where:
Base-Base interactions energy: -1844.003
where: short stacking energy: -820.161
Base-Backbone interact. energy: -2.460
local terms energy: -820.133157
where:
bonds (distance) C4'-P energy: -146.280
bonds (distance) P-C4' energy: -140.924
flat angles C4'-P-C4' energy: -174.703
flat angles P-C4'-P energy: -117.641
tors. eta vs tors. theta energy: -240.586
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: 3, replica: 8
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -2593.067143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2593.067143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2596.737778 (E_RNA)
where:
Base-Base interactions energy: -1802.443
where: short stacking energy: -767.470
Base-Backbone interact. energy: -0.727
local terms energy: -793.567973
where:
bonds (distance) C4'-P energy: -145.379
bonds (distance) P-C4' energy: -151.053
flat angles C4'-P-C4' energy: -159.236
flat angles P-C4'-P energy: -99.266
tors. eta vs tors. theta energy: -238.634
Dist. restrs. and SS energy: 3.671 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -2518.753252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2518.753252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2525.662557 (E_RNA)
where:
Base-Base interactions energy: -1775.263
where: short stacking energy: -767.266
Base-Backbone interact. energy: -1.381
local terms energy: -749.018238
where:
bonds (distance) C4'-P energy: -134.342
bonds (distance) P-C4' energy: -117.448
flat angles C4'-P-C4' energy: -162.217
flat angles P-C4'-P energy: -113.235
tors. eta vs tors. theta energy: -221.777
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: 5, replica: 10
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -2424.039776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2424.039776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2432.572865 (E_RNA)
where:
Base-Base interactions energy: -1692.067
where: short stacking energy: -719.169
Base-Backbone interact. energy: -2.099
local terms energy: -738.406814
where:
bonds (distance) C4'-P energy: -117.398
bonds (distance) P-C4' energy: -123.006
flat angles C4'-P-C4' energy: -162.826
flat angles P-C4'-P energy: -116.160
tors. eta vs tors. theta energy: -219.017
Dist. restrs. and SS energy: 8.533 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -2325.515282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2325.515282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2333.255647 (E_RNA)
where:
Base-Base interactions energy: -1630.561
where: short stacking energy: -672.569
Base-Backbone interact. energy: -1.761
local terms energy: -700.933591
where:
bonds (distance) C4'-P energy: -108.887
bonds (distance) P-C4' energy: -135.328
flat angles C4'-P-C4' energy: -153.691
flat angles P-C4'-P energy: -103.327
tors. eta vs tors. theta energy: -199.700
Dist. restrs. and SS energy: 7.740 (S_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: 320
Temperature: 1.200000
Total energy: -2221.563314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2221.563314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2235.990834 (E_RNA)
where:
Base-Base interactions energy: -1577.430
where: short stacking energy: -665.062
Base-Backbone interact. energy: 5.671
local terms energy: -664.231789
where:
bonds (distance) C4'-P energy: -104.245
bonds (distance) P-C4' energy: -124.066
flat angles C4'-P-C4' energy: -146.119
flat angles P-C4'-P energy: -94.008
tors. eta vs tors. theta energy: -195.794
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: 8, replica: 1
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -2147.637104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2147.637104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2156.384860 (E_RNA)
where:
Base-Base interactions energy: -1531.751
where: short stacking energy: -648.726
Base-Backbone interact. energy: 3.449
local terms energy: -628.082769
where:
bonds (distance) C4'-P energy: -99.344
bonds (distance) P-C4' energy: -118.167
flat angles C4'-P-C4' energy: -132.636
flat angles P-C4'-P energy: -95.389
tors. eta vs tors. theta energy: -182.547
Dist. restrs. and SS energy: 8.748 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -2105.330708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2105.330708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2120.470473 (E_RNA)
where:
Base-Base interactions energy: -1507.810
where: short stacking energy: -630.265
Base-Backbone interact. energy: -3.386
local terms energy: -609.274810
where:
bonds (distance) C4'-P energy: -104.363
bonds (distance) P-C4' energy: -120.640
flat angles C4'-P-C4' energy: -126.234
flat angles P-C4'-P energy: -91.172
tors. eta vs tors. theta energy: -166.866
Dist. restrs. and SS energy: 15.140 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -1924.096918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.096918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1938.832035 (E_RNA)
where:
Base-Base interactions energy: -1364.392
where: short stacking energy: -562.325
Base-Backbone interact. energy: -1.777
local terms energy: -572.663696
where:
bonds (distance) C4'-P energy: -106.798
bonds (distance) P-C4' energy: -127.452
flat angles C4'-P-C4' energy: -124.194
flat angles P-C4'-P energy: -66.950
tors. eta vs tors. theta energy: -147.270
Dist. restrs. and SS energy: 14.735 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -2800.365384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2800.365384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2801.799417 (E_RNA)
where:
Base-Base interactions energy: -1960.109
where: short stacking energy: -818.685
Base-Backbone interact. energy: -4.800
local terms energy: -836.890686
where:
bonds (distance) C4'-P energy: -158.170
bonds (distance) P-C4' energy: -142.432
flat angles C4'-P-C4' energy: -169.715
flat angles P-C4'-P energy: -123.202
tors. eta vs tors. theta energy: -243.371
Dist. restrs. and SS energy: 1.434 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -2704.817132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2704.817132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2709.486150 (E_RNA)
where:
Base-Base interactions energy: -1898.530
where: short stacking energy: -802.179
Base-Backbone interact. energy: -1.097
local terms energy: -809.859313
where:
bonds (distance) C4'-P energy: -144.533
bonds (distance) P-C4' energy: -138.173
flat angles C4'-P-C4' energy: -177.265
flat angles P-C4'-P energy: -107.272
tors. eta vs tors. theta energy: -242.616
Dist. restrs. and SS energy: 4.669 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -2592.709697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2592.709697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2597.831128 (E_RNA)
where:
Base-Base interactions energy: -1811.596
where: short stacking energy: -772.097
Base-Backbone interact. energy: 2.817
local terms energy: -789.052294
where:
bonds (distance) C4'-P energy: -154.655
bonds (distance) P-C4' energy: -144.719
flat angles C4'-P-C4' energy: -147.100
flat angles P-C4'-P energy: -110.427
tors. eta vs tors. theta energy: -232.151
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: 10
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -2489.844050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2489.844050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2496.774394 (E_RNA)
where:
Base-Base interactions energy: -1754.329
where: short stacking energy: -740.876
Base-Backbone interact. energy: -0.988
local terms energy: -741.457132
where:
bonds (distance) C4'-P energy: -131.822
bonds (distance) P-C4' energy: -138.788
flat angles C4'-P-C4' energy: -160.264
flat angles P-C4'-P energy: -92.054
tors. eta vs tors. theta energy: -218.530
Dist. restrs. and SS energy: 6.930 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -2414.025992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2414.025992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2418.538146 (E_RNA)
where:
Base-Base interactions energy: -1695.786
where: short stacking energy: -709.484
Base-Backbone interact. energy: 0.071
local terms energy: -722.822439
where:
bonds (distance) C4'-P energy: -128.715
bonds (distance) P-C4' energy: -119.536
flat angles C4'-P-C4' energy: -164.843
flat angles P-C4'-P energy: -93.264
tors. eta vs tors. theta energy: -216.464
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: 7
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -2327.419884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2327.419884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2336.862092 (E_RNA)
where:
Base-Base interactions energy: -1651.459
where: short stacking energy: -688.581
Base-Backbone interact. energy: -0.971
local terms energy: -684.432515
where:
bonds (distance) C4'-P energy: -113.684
bonds (distance) P-C4' energy: -134.890
flat angles C4'-P-C4' energy: -136.865
flat angles P-C4'-P energy: -93.263
tors. eta vs tors. theta energy: -205.731
Dist. restrs. and SS energy: 9.442 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -2267.468460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2267.468460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2289.591115 (E_RNA)
where:
Base-Base interactions energy: -1593.177
where: short stacking energy: -659.771
Base-Backbone interact. energy: -1.125
local terms energy: -695.288981
where:
bonds (distance) C4'-P energy: -116.369
bonds (distance) P-C4' energy: -131.831
flat angles C4'-P-C4' energy: -152.703
flat angles P-C4'-P energy: -99.888
tors. eta vs tors. theta energy: -194.498
Dist. restrs. and SS energy: 22.123 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -2155.887744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2155.887744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2162.847497 (E_RNA)
where:
Base-Base interactions energy: -1534.127
where: short stacking energy: -624.952
Base-Backbone interact. energy: -2.283
local terms energy: -626.437397
where:
bonds (distance) C4'-P energy: -116.873
bonds (distance) P-C4' energy: -112.582
flat angles C4'-P-C4' energy: -128.029
flat angles P-C4'-P energy: -89.279
tors. eta vs tors. theta energy: -179.674
Dist. restrs. and SS energy: 6.960 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -2070.186276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2070.186276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2087.088469 (E_RNA)
where:
Base-Base interactions energy: -1475.250
where: short stacking energy: -604.399
Base-Backbone interact. energy: -1.047
local terms energy: -610.792310
where:
bonds (distance) C4'-P energy: -111.895
bonds (distance) P-C4' energy: -113.785
flat angles C4'-P-C4' energy: -137.495
flat angles P-C4'-P energy: -77.023
tors. eta vs tors. theta energy: -170.594
Dist. restrs. and SS energy: 16.902 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -1959.890701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.890701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1976.639816 (E_RNA)
where:
Base-Base interactions energy: -1374.242
where: short stacking energy: -563.150
Base-Backbone interact. energy: -0.687
local terms energy: -601.710308
where:
bonds (distance) C4'-P energy: -98.880
bonds (distance) P-C4' energy: -122.620
flat angles C4'-P-C4' energy: -129.656
flat angles P-C4'-P energy: -87.626
tors. eta vs tors. theta energy: -162.928
Dist. restrs. and SS energy: 16.749 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -2778.682244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2778.682244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2782.260619 (E_RNA)
where:
Base-Base interactions energy: -1932.714
where: short stacking energy: -810.569
Base-Backbone interact. energy: -3.076
local terms energy: -846.470117
where:
bonds (distance) C4'-P energy: -139.721
bonds (distance) P-C4' energy: -160.106
flat angles C4'-P-C4' energy: -180.494
flat angles P-C4'-P energy: -121.628
tors. eta vs tors. theta energy: -244.521
Dist. restrs. and SS energy: 3.578 (S_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: 322
Temperature: 0.950000
Total energy: -2660.698783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2660.698783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2666.028054 (E_RNA)
where:
Base-Base interactions energy: -1874.379
where: short stacking energy: -788.276
Base-Backbone interact. energy: -4.365
local terms energy: -787.284022
where:
bonds (distance) C4'-P energy: -139.320
bonds (distance) P-C4' energy: -132.351
flat angles C4'-P-C4' energy: -161.452
flat angles P-C4'-P energy: -110.508
tors. eta vs tors. theta energy: -243.654
Dist. restrs. and SS energy: 5.329 (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: 322
Temperature: 1.000000
Total energy: -2622.763869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2622.763869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2626.797620 (E_RNA)
where:
Base-Base interactions energy: -1821.414
where: short stacking energy: -785.864
Base-Backbone interact. energy: 0.078
local terms energy: -805.461983
where:
bonds (distance) C4'-P energy: -136.498
bonds (distance) P-C4' energy: -151.901
flat angles C4'-P-C4' energy: -167.277
flat angles P-C4'-P energy: -116.132
tors. eta vs tors. theta energy: -233.654
Dist. restrs. and SS energy: 4.034 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -2495.841169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2495.841169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2504.090597 (E_RNA)
where:
Base-Base interactions energy: -1738.323
where: short stacking energy: -723.487
Base-Backbone interact. energy: -2.014
local terms energy: -763.752863
where:
bonds (distance) C4'-P energy: -154.754
bonds (distance) P-C4' energy: -128.573
flat angles C4'-P-C4' energy: -154.901
flat angles P-C4'-P energy: -108.174
tors. eta vs tors. theta energy: -217.351
Dist. restrs. and SS energy: 8.249 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -2447.976048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2447.976048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2454.551108 (E_RNA)
where:
Base-Base interactions energy: -1717.792
where: short stacking energy: -735.492
Base-Backbone interact. energy: -3.211
local terms energy: -733.548449
where:
bonds (distance) C4'-P energy: -126.782
bonds (distance) P-C4' energy: -150.086
flat angles C4'-P-C4' energy: -151.667
flat angles P-C4'-P energy: -85.926
tors. eta vs tors. theta energy: -219.087
Dist. restrs. and SS energy: 6.575 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -2343.165951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2343.165951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2350.442385 (E_RNA)
where:
Base-Base interactions energy: -1635.185
where: short stacking energy: -684.614
Base-Backbone interact. energy: 0.855
local terms energy: -716.112896
where:
bonds (distance) C4'-P energy: -122.034
bonds (distance) P-C4' energy: -137.126
flat angles C4'-P-C4' energy: -149.345
flat angles P-C4'-P energy: -94.530
tors. eta vs tors. theta energy: -213.078
Dist. restrs. and SS energy: 7.276 (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: 4
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -2252.937578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2252.937578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2269.454827 (E_RNA)
where:
Base-Base interactions energy: -1574.225
where: short stacking energy: -652.926
Base-Backbone interact. energy: -3.021
local terms energy: -692.208202
where:
bonds (distance) C4'-P energy: -111.259
bonds (distance) P-C4' energy: -127.732
flat angles C4'-P-C4' energy: -154.572
flat angles P-C4'-P energy: -91.904
tors. eta vs tors. theta energy: -206.740
Dist. restrs. and SS energy: 16.517 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -2155.831596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2155.831596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2168.722163 (E_RNA)
where:
Base-Base interactions energy: -1530.882
where: short stacking energy: -641.734
Base-Backbone interact. energy: 3.685
local terms energy: -641.525011
where:
bonds (distance) C4'-P energy: -115.027
bonds (distance) P-C4' energy: -117.690
flat angles C4'-P-C4' energy: -135.833
flat angles P-C4'-P energy: -85.653
tors. eta vs tors. theta energy: -187.322
Dist. restrs. and SS energy: 12.891 (S_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: 322
Temperature: 1.300000
Total energy: -2058.046043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2058.046043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.629107 (E_RNA)
where:
Base-Base interactions energy: -1439.640
where: short stacking energy: -615.674
Base-Backbone interact. energy: 2.823
local terms energy: -634.812125
where:
bonds (distance) C4'-P energy: -113.680
bonds (distance) P-C4' energy: -111.770
flat angles C4'-P-C4' energy: -139.371
flat angles P-C4'-P energy: -101.621
tors. eta vs tors. theta energy: -168.370
Dist. restrs. and SS energy: 13.583 (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: 6
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -2016.671098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2016.671098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2036.468706 (E_RNA)
where:
Base-Base interactions energy: -1449.956
where: short stacking energy: -597.397
Base-Backbone interact. energy: 4.575
local terms energy: -591.087448
where:
bonds (distance) C4'-P energy: -91.726
bonds (distance) P-C4' energy: -120.903
flat angles C4'-P-C4' energy: -131.635
flat angles P-C4'-P energy: -78.073
tors. eta vs tors. theta energy: -168.750
Dist. restrs. and SS energy: 19.798 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -2775.630745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2775.630745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2776.965311 (E_RNA)
where:
Base-Base interactions energy: -1954.003
where: short stacking energy: -818.946
Base-Backbone interact. energy: -2.320
local terms energy: -820.642296
where:
bonds (distance) C4'-P energy: -147.459
bonds (distance) P-C4' energy: -156.435
flat angles C4'-P-C4' energy: -166.913
flat angles P-C4'-P energy: -115.048
tors. eta vs tors. theta energy: -234.788
Dist. restrs. and SS energy: 1.335 (S_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: 323
Temperature: 0.950000
Total energy: -2677.984753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2677.984753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2681.762002 (E_RNA)
where:
Base-Base interactions energy: -1877.326
where: short stacking energy: -811.570
Base-Backbone interact. energy: 0.371
local terms energy: -804.806302
where:
bonds (distance) C4'-P energy: -138.370
bonds (distance) P-C4' energy: -146.215
flat angles C4'-P-C4' energy: -161.165
flat angles P-C4'-P energy: -115.721
tors. eta vs tors. theta energy: -243.336
Dist. restrs. and SS energy: 3.777 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -2595.075663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2595.075663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2601.254326 (E_RNA)
where:
Base-Base interactions energy: -1797.086
where: short stacking energy: -770.977
Base-Backbone interact. energy: -2.183
local terms energy: -801.985110
where:
bonds (distance) C4'-P energy: -139.185
bonds (distance) P-C4' energy: -153.335
flat angles C4'-P-C4' energy: -160.183
flat angles P-C4'-P energy: -110.946
tors. eta vs tors. theta energy: -238.337
Dist. restrs. and SS energy: 6.179 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -2491.717341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2491.717341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2496.701337 (E_RNA)
where:
Base-Base interactions energy: -1700.698
where: short stacking energy: -730.601
Base-Backbone interact. energy: -1.178
local terms energy: -794.825293
where:
bonds (distance) C4'-P energy: -135.964
bonds (distance) P-C4' energy: -141.855
flat angles C4'-P-C4' energy: -174.475
flat angles P-C4'-P energy: -118.345
tors. eta vs tors. theta energy: -224.186
Dist. restrs. and SS energy: 4.984 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -2462.328977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2462.328977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2473.420311 (E_RNA)
where:
Base-Base interactions energy: -1720.860
where: short stacking energy: -748.428
Base-Backbone interact. energy: -2.694
local terms energy: -749.866390
where:
bonds (distance) C4'-P energy: -132.109
bonds (distance) P-C4' energy: -154.565
flat angles C4'-P-C4' energy: -163.632
flat angles P-C4'-P energy: -73.296
tors. eta vs tors. theta energy: -226.264
Dist. restrs. and SS energy: 11.091 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -2332.531989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2332.531989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2348.242206 (E_RNA)
where:
Base-Base interactions energy: -1635.626
where: short stacking energy: -684.460
Base-Backbone interact. energy: -1.386
local terms energy: -711.229938
where:
bonds (distance) C4'-P energy: -131.641
bonds (distance) P-C4' energy: -128.220
flat angles C4'-P-C4' energy: -161.844
flat angles P-C4'-P energy: -89.913
tors. eta vs tors. theta energy: -199.611
Dist. restrs. and SS energy: 15.710 (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: 7
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -2230.567424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2230.567424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2240.702155 (E_RNA)
where:
Base-Base interactions energy: -1613.930
where: short stacking energy: -658.916
Base-Backbone interact. energy: 3.710
local terms energy: -630.482521
where:
bonds (distance) C4'-P energy: -102.519
bonds (distance) P-C4' energy: -106.171
flat angles C4'-P-C4' energy: -149.654
flat angles P-C4'-P energy: -87.257
tors. eta vs tors. theta energy: -184.881
Dist. restrs. and SS energy: 10.135 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -2134.585778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2134.585778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2145.936575 (E_RNA)
where:
Base-Base interactions energy: -1541.661
where: short stacking energy: -639.801
Base-Backbone interact. energy: 1.244
local terms energy: -605.519221
where:
bonds (distance) C4'-P energy: -102.546
bonds (distance) P-C4' energy: -107.488
flat angles C4'-P-C4' energy: -128.916
flat angles P-C4'-P energy: -77.089
tors. eta vs tors. theta energy: -189.480
Dist. restrs. and SS energy: 11.351 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -2095.520041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.520041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2109.739250 (E_RNA)
where:
Base-Base interactions energy: -1505.635
where: short stacking energy: -610.408
Base-Backbone interact. energy: 4.500
local terms energy: -608.603919
where:
bonds (distance) C4'-P energy: -113.649
bonds (distance) P-C4' energy: -105.147
flat angles C4'-P-C4' energy: -135.298
flat angles P-C4'-P energy: -87.944
tors. eta vs tors. theta energy: -166.565
Dist. restrs. and SS energy: 14.219 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -2051.764410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2051.764410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2069.040635 (E_RNA)
where:
Base-Base interactions energy: -1425.640
where: short stacking energy: -586.813
Base-Backbone interact. energy: -1.378
local terms energy: -642.023440
where:
bonds (distance) C4'-P energy: -125.540
bonds (distance) P-C4' energy: -125.713
flat angles C4'-P-C4' energy: -127.442
flat angles P-C4'-P energy: -94.212
tors. eta vs tors. theta energy: -169.116
Dist. restrs. and SS energy: 17.276 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -2782.359937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2782.359937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2784.562287 (E_RNA)
where:
Base-Base interactions energy: -1951.445
where: short stacking energy: -822.400
Base-Backbone interact. energy: -2.483
local terms energy: -830.633942
where:
bonds (distance) C4'-P energy: -142.354
bonds (distance) P-C4' energy: -151.515
flat angles C4'-P-C4' energy: -169.975
flat angles P-C4'-P energy: -125.775
tors. eta vs tors. theta energy: -241.014
Dist. restrs. and SS energy: 2.202 (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: 5
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -2683.170606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2683.170606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2686.427698 (E_RNA)
where:
Base-Base interactions energy: -1889.039
where: short stacking energy: -790.821
Base-Backbone interact. energy: -5.210
local terms energy: -792.178869
where:
bonds (distance) C4'-P energy: -131.935
bonds (distance) P-C4' energy: -145.562
flat angles C4'-P-C4' energy: -171.160
flat angles P-C4'-P energy: -103.493
tors. eta vs tors. theta energy: -240.029
Dist. restrs. and SS energy: 3.257 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -2619.438239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2619.438239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2623.141457 (E_RNA)
where:
Base-Base interactions energy: -1847.381
where: short stacking energy: -776.164
Base-Backbone interact. energy: 4.938
local terms energy: -780.698088
where:
bonds (distance) C4'-P energy: -135.489
bonds (distance) P-C4' energy: -137.281
flat angles C4'-P-C4' energy: -170.360
flat angles P-C4'-P energy: -102.886
tors. eta vs tors. theta energy: -234.682
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: 4, replica: 10
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -2498.004840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2498.004840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2507.611356 (E_RNA)
where:
Base-Base interactions energy: -1741.722
where: short stacking energy: -723.051
Base-Backbone interact. energy: 2.181
local terms energy: -768.070304
where:
bonds (distance) C4'-P energy: -146.444
bonds (distance) P-C4' energy: -137.083
flat angles C4'-P-C4' energy: -162.956
flat angles P-C4'-P energy: -109.760
tors. eta vs tors. theta energy: -211.827
Dist. restrs. and SS energy: 9.607 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -2462.647401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2462.647401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2470.297269 (E_RNA)
where:
Base-Base interactions energy: -1714.702
where: short stacking energy: -716.837
Base-Backbone interact. energy: 0.375
local terms energy: -755.971022
where:
bonds (distance) C4'-P energy: -127.936
bonds (distance) P-C4' energy: -139.904
flat angles C4'-P-C4' energy: -170.017
flat angles P-C4'-P energy: -95.876
tors. eta vs tors. theta energy: -222.238
Dist. restrs. and SS energy: 7.650 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -2328.965274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2328.965274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2340.332732 (E_RNA)
where:
Base-Base interactions energy: -1609.741
where: short stacking energy: -673.912
Base-Backbone interact. energy: -2.937
local terms energy: -727.654357
where:
bonds (distance) C4'-P energy: -123.716
bonds (distance) P-C4' energy: -128.341
flat angles C4'-P-C4' energy: -167.599
flat angles P-C4'-P energy: -103.523
tors. eta vs tors. theta energy: -204.475
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: 7, replica: 7
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -2290.410975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2290.410975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2301.240570 (E_RNA)
where:
Base-Base interactions energy: -1588.124
where: short stacking energy: -672.731
Base-Backbone interact. energy: -2.373
local terms energy: -710.744363
where:
bonds (distance) C4'-P energy: -130.069
bonds (distance) P-C4' energy: -124.712
flat angles C4'-P-C4' energy: -142.561
flat angles P-C4'-P energy: -105.083
tors. eta vs tors. theta energy: -208.319
Dist. restrs. and SS energy: 10.830 (S_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: 324
Temperature: 1.250000
Total energy: -2173.346740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2173.346740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2182.662593 (E_RNA)
where:
Base-Base interactions energy: -1539.950
where: short stacking energy: -667.058
Base-Backbone interact. energy: -1.556
local terms energy: -641.157054
where:
bonds (distance) C4'-P energy: -104.127
bonds (distance) P-C4' energy: -116.849
flat angles C4'-P-C4' energy: -135.035
flat angles P-C4'-P energy: -87.576
tors. eta vs tors. theta energy: -197.569
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: 9, replica: 9
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -2052.664342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2052.664342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2069.230542 (E_RNA)
where:
Base-Base interactions energy: -1469.897
where: short stacking energy: -608.269
Base-Backbone interact. energy: -2.204
local terms energy: -597.130238
where:
bonds (distance) C4'-P energy: -139.217
bonds (distance) P-C4' energy: -108.412
flat angles C4'-P-C4' energy: -111.705
flat angles P-C4'-P energy: -62.211
tors. eta vs tors. theta energy: -175.585
Dist. restrs. and SS energy: 16.566 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -2023.665467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2023.665467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2040.223269 (E_RNA)
where:
Base-Base interactions energy: -1447.502
where: short stacking energy: -605.747
Base-Backbone interact. energy: -4.090
local terms energy: -588.631190
where:
bonds (distance) C4'-P energy: -120.650
bonds (distance) P-C4' energy: -98.151
flat angles C4'-P-C4' energy: -124.842
flat angles P-C4'-P energy: -69.711
tors. eta vs tors. theta energy: -175.277
Dist. restrs. and SS energy: 16.558 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -2751.597419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2751.597419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2754.226110 (E_RNA)
where:
Base-Base interactions energy: -1921.421
where: short stacking energy: -794.734
Base-Backbone interact. energy: -1.916
local terms energy: -830.889706
where:
bonds (distance) C4'-P energy: -152.115
bonds (distance) P-C4' energy: -155.485
flat angles C4'-P-C4' energy: -160.077
flat angles P-C4'-P energy: -123.682
tors. eta vs tors. theta energy: -239.531
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: 2, replica: 8
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -2682.968825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2682.968825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2686.417440 (E_RNA)
where:
Base-Base interactions energy: -1878.887
where: short stacking energy: -816.923
Base-Backbone interact. energy: -2.990
local terms energy: -804.540011
where:
bonds (distance) C4'-P energy: -133.012
bonds (distance) P-C4' energy: -147.204
flat angles C4'-P-C4' energy: -171.487
flat angles P-C4'-P energy: -113.987
tors. eta vs tors. theta energy: -238.850
Dist. restrs. and SS energy: 3.449 (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: 5
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -2639.416275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2639.416275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2643.530224 (E_RNA)
where:
Base-Base interactions energy: -1858.059
where: short stacking energy: -803.729
Base-Backbone interact. energy: -1.751
local terms energy: -783.720479
where:
bonds (distance) C4'-P energy: -130.742
bonds (distance) P-C4' energy: -126.940
flat angles C4'-P-C4' energy: -169.735
flat angles P-C4'-P energy: -122.439
tors. eta vs tors. theta energy: -233.864
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: 4, replica: 10
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -2524.739733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2524.739733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2531.007548 (E_RNA)
where:
Base-Base interactions energy: -1798.493
where: short stacking energy: -730.920
Base-Backbone interact. energy: 4.481
local terms energy: -736.995903
where:
bonds (distance) C4'-P energy: -114.301
bonds (distance) P-C4' energy: -131.096
flat angles C4'-P-C4' energy: -173.448
flat angles P-C4'-P energy: -112.705
tors. eta vs tors. theta energy: -205.446
Dist. restrs. and SS energy: 6.268 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -2425.812183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2425.812183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2432.042818 (E_RNA)
where:
Base-Base interactions energy: -1740.621
where: short stacking energy: -692.571
Base-Backbone interact. energy: -3.593
local terms energy: -687.828049
where:
bonds (distance) C4'-P energy: -118.816
bonds (distance) P-C4' energy: -113.644
flat angles C4'-P-C4' energy: -155.608
flat angles P-C4'-P energy: -98.724
tors. eta vs tors. theta energy: -201.036
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: 6, replica: 4
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -2323.960120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2323.960120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2334.120478 (E_RNA)
where:
Base-Base interactions energy: -1621.485
where: short stacking energy: -683.771
Base-Backbone interact. energy: -3.718
local terms energy: -708.916836
where:
bonds (distance) C4'-P energy: -118.828
bonds (distance) P-C4' energy: -129.242
flat angles C4'-P-C4' energy: -158.187
flat angles P-C4'-P energy: -97.869
tors. eta vs tors. theta energy: -204.791
Dist. restrs. and SS energy: 10.160 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -2269.849755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2269.849755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2279.412268 (E_RNA)
where:
Base-Base interactions energy: -1609.813
where: short stacking energy: -663.859
Base-Backbone interact. energy: -3.019
local terms energy: -666.579573
where:
bonds (distance) C4'-P energy: -113.787
bonds (distance) P-C4' energy: -116.962
flat angles C4'-P-C4' energy: -146.703
flat angles P-C4'-P energy: -93.975
tors. eta vs tors. theta energy: -195.153
Dist. restrs. and SS energy: 9.563 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -2170.600421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2170.600421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2184.073233 (E_RNA)
where:
Base-Base interactions energy: -1568.636
where: short stacking energy: -641.245
Base-Backbone interact. energy: -3.342
local terms energy: -612.096205
where:
bonds (distance) C4'-P energy: -110.081
bonds (distance) P-C4' energy: -94.361
flat angles C4'-P-C4' energy: -136.350
flat angles P-C4'-P energy: -82.955
tors. eta vs tors. theta energy: -188.351
Dist. restrs. and SS energy: 13.473 (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: 325
Temperature: 1.300000
Total energy: -2042.525772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2042.525772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2062.647564 (E_RNA)
where:
Base-Base interactions energy: -1445.165
where: short stacking energy: -612.245
Base-Backbone interact. energy: 1.119
local terms energy: -618.601054
where:
bonds (distance) C4'-P energy: -96.948
bonds (distance) P-C4' energy: -130.916
flat angles C4'-P-C4' energy: -139.331
flat angles P-C4'-P energy: -74.319
tors. eta vs tors. theta energy: -177.087
Dist. restrs. and SS energy: 20.122 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -1993.471961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1993.471961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.789654 (E_RNA)
where:
Base-Base interactions energy: -1429.683
where: short stacking energy: -599.175
Base-Backbone interact. energy: 0.803
local terms energy: -580.909749
where:
bonds (distance) C4'-P energy: -92.019
bonds (distance) P-C4' energy: -99.091
flat angles C4'-P-C4' energy: -130.350
flat angles P-C4'-P energy: -93.754
tors. eta vs tors. theta energy: -165.696
Dist. restrs. and SS energy: 16.318 (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: 2
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -2762.721740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2762.721740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2767.479897 (E_RNA)
where:
Base-Base interactions energy: -1932.919
where: short stacking energy: -812.177
Base-Backbone interact. energy: -2.360
local terms energy: -832.201000
where:
bonds (distance) C4'-P energy: -153.258
bonds (distance) P-C4' energy: -147.687
flat angles C4'-P-C4' energy: -160.985
flat angles P-C4'-P energy: -117.646
tors. eta vs tors. theta energy: -252.625
Dist. restrs. and SS energy: 4.758 (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: 8
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -2673.102466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2673.102466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2678.190557 (E_RNA)
where:
Base-Base interactions energy: -1884.241
where: short stacking energy: -799.812
Base-Backbone interact. energy: -1.358
local terms energy: -792.591728
where:
bonds (distance) C4'-P energy: -115.594
bonds (distance) P-C4' energy: -153.325
flat angles C4'-P-C4' energy: -167.416
flat angles P-C4'-P energy: -118.744
tors. eta vs tors. theta energy: -237.513
Dist. restrs. and SS energy: 5.088 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -2643.546930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2643.546930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2647.562000 (E_RNA)
where:
Base-Base interactions energy: -1856.747
where: short stacking energy: -787.789
Base-Backbone interact. energy: -2.153
local terms energy: -788.662087
where:
bonds (distance) C4'-P energy: -134.748
bonds (distance) P-C4' energy: -126.464
flat angles C4'-P-C4' energy: -170.702
flat angles P-C4'-P energy: -118.805
tors. eta vs tors. theta energy: -237.943
Dist. restrs. and SS energy: 4.015 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -2539.611960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2539.611960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2547.342853 (E_RNA)
where:
Base-Base interactions energy: -1801.113
where: short stacking energy: -752.774
Base-Backbone interact. energy: -2.831
local terms energy: -743.399335
where:
bonds (distance) C4'-P energy: -131.237
bonds (distance) P-C4' energy: -137.640
flat angles C4'-P-C4' energy: -159.275
flat angles P-C4'-P energy: -86.066
tors. eta vs tors. theta energy: -229.182
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: 5, replica: 3
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -2403.751025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2403.751025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2410.826624 (E_RNA)
where:
Base-Base interactions energy: -1685.582
where: short stacking energy: -689.884
Base-Backbone interact. energy: -1.995
local terms energy: -723.250251
where:
bonds (distance) C4'-P energy: -129.672
bonds (distance) P-C4' energy: -138.136
flat angles C4'-P-C4' energy: -156.877
flat angles P-C4'-P energy: -97.578
tors. eta vs tors. theta energy: -200.987
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: 4
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -2339.880193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2339.880193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2356.463944 (E_RNA)
where:
Base-Base interactions energy: -1652.076
where: short stacking energy: -706.143
Base-Backbone interact. energy: -5.451
local terms energy: -698.937683
where:
bonds (distance) C4'-P energy: -125.129
bonds (distance) P-C4' energy: -121.554
flat angles C4'-P-C4' energy: -165.967
flat angles P-C4'-P energy: -86.743
tors. eta vs tors. theta energy: -199.545
Dist. restrs. and SS energy: 16.584 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -2323.778287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2323.778287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2329.169651 (E_RNA)
where:
Base-Base interactions energy: -1636.420
where: short stacking energy: -679.808
Base-Backbone interact. energy: -0.065
local terms energy: -692.684780
where:
bonds (distance) C4'-P energy: -128.645
bonds (distance) P-C4' energy: -117.524
flat angles C4'-P-C4' energy: -133.838
flat angles P-C4'-P energy: -96.943
tors. eta vs tors. theta energy: -215.735
Dist. restrs. and SS energy: 5.391 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -2221.012056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2221.012056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2235.710146 (E_RNA)
where:
Base-Base interactions energy: -1569.254
where: short stacking energy: -642.145
Base-Backbone interact. energy: -3.126
local terms energy: -663.329953
where:
bonds (distance) C4'-P energy: -119.657
bonds (distance) P-C4' energy: -133.089
flat angles C4'-P-C4' energy: -125.450
flat angles P-C4'-P energy: -95.179
tors. eta vs tors. theta energy: -189.955
Dist. restrs. and SS energy: 14.698 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -2030.389134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2030.389134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2043.145696 (E_RNA)
where:
Base-Base interactions energy: -1451.697
where: short stacking energy: -599.237
Base-Backbone interact. energy: -4.494
local terms energy: -586.954695
where:
bonds (distance) C4'-P energy: -81.898
bonds (distance) P-C4' energy: -133.966
flat angles C4'-P-C4' energy: -127.586
flat angles P-C4'-P energy: -76.900
tors. eta vs tors. theta energy: -166.605
Dist. restrs. and SS energy: 12.757 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -1958.239354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1958.239354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1980.683294 (E_RNA)
where:
Base-Base interactions energy: -1418.894
where: short stacking energy: -600.362
Base-Backbone interact. energy: -2.630
local terms energy: -559.159263
where:
bonds (distance) C4'-P energy: -69.764
bonds (distance) P-C4' energy: -110.181
flat angles C4'-P-C4' energy: -132.164
flat angles P-C4'-P energy: -93.357
tors. eta vs tors. theta energy: -153.694
Dist. restrs. and SS energy: 22.444 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -2773.960055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2773.960055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2776.503475 (E_RNA)
where:
Base-Base interactions energy: -1933.404
where: short stacking energy: -820.029
Base-Backbone interact. energy: 1.101
local terms energy: -844.200734
where:
bonds (distance) C4'-P energy: -144.198
bonds (distance) P-C4' energy: -140.482
flat angles C4'-P-C4' energy: -188.504
flat angles P-C4'-P energy: -121.254
tors. eta vs tors. theta energy: -249.763
Dist. restrs. and SS energy: 2.543 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -2680.771371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2680.771371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2686.051310 (E_RNA)
where:
Base-Base interactions energy: -1913.542
where: short stacking energy: -804.004
Base-Backbone interact. energy: -3.427
local terms energy: -769.082118
where:
bonds (distance) C4'-P energy: -107.905
bonds (distance) P-C4' energy: -136.442
flat angles C4'-P-C4' energy: -178.283
flat angles P-C4'-P energy: -114.167
tors. eta vs tors. theta energy: -232.285
Dist. restrs. and SS energy: 5.280 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -2632.154363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2632.154363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2636.206907 (E_RNA)
where:
Base-Base interactions energy: -1838.498
where: short stacking energy: -773.051
Base-Backbone interact. energy: -4.455
local terms energy: -793.253962
where:
bonds (distance) C4'-P energy: -133.313
bonds (distance) P-C4' energy: -134.204
flat angles C4'-P-C4' energy: -174.416
flat angles P-C4'-P energy: -119.662
tors. eta vs tors. theta energy: -231.659
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: 4, replica: 10
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -2561.275182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2561.275182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2568.619241 (E_RNA)
where:
Base-Base interactions energy: -1788.526
where: short stacking energy: -761.591
Base-Backbone interact. energy: 0.024
local terms energy: -780.117682
where:
bonds (distance) C4'-P energy: -141.326
bonds (distance) P-C4' energy: -148.361
flat angles C4'-P-C4' energy: -159.205
flat angles P-C4'-P energy: -105.527
tors. eta vs tors. theta energy: -225.699
Dist. restrs. and SS energy: 7.344 (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: 3
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -2434.590406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2434.590406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2441.531387 (E_RNA)
where:
Base-Base interactions energy: -1699.326
where: short stacking energy: -716.037
Base-Backbone interact. energy: -2.998
local terms energy: -739.206917
where:
bonds (distance) C4'-P energy: -128.532
bonds (distance) P-C4' energy: -139.013
flat angles C4'-P-C4' energy: -157.843
flat angles P-C4'-P energy: -98.695
tors. eta vs tors. theta energy: -215.123
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: 4
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -2391.462694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2391.462694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2404.994789 (E_RNA)
where:
Base-Base interactions energy: -1690.941
where: short stacking energy: -731.498
Base-Backbone interact. energy: -0.490
local terms energy: -713.563107
where:
bonds (distance) C4'-P energy: -113.411
bonds (distance) P-C4' energy: -95.995
flat angles C4'-P-C4' energy: -154.312
flat angles P-C4'-P energy: -118.992
tors. eta vs tors. theta energy: -230.853
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: 7, replica: 7
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -2294.343762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2294.343762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2298.692930 (E_RNA)
where:
Base-Base interactions energy: -1625.956
where: short stacking energy: -687.459
Base-Backbone interact. energy: -1.905
local terms energy: -670.831985
where:
bonds (distance) C4'-P energy: -112.036
bonds (distance) P-C4' energy: -110.507
flat angles C4'-P-C4' energy: -148.034
flat angles P-C4'-P energy: -90.866
tors. eta vs tors. theta energy: -209.388
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: 8, replica: 1
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -2183.519761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2183.519761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2201.283887 (E_RNA)
where:
Base-Base interactions energy: -1541.564
where: short stacking energy: -647.436
Base-Backbone interact. energy: -2.185
local terms energy: -657.534775
where:
bonds (distance) C4'-P energy: -106.714
bonds (distance) P-C4' energy: -95.079
flat angles C4'-P-C4' energy: -149.831
flat angles P-C4'-P energy: -106.520
tors. eta vs tors. theta energy: -199.391
Dist. restrs. and SS energy: 17.764 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -2070.363400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2070.363400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2081.101647 (E_RNA)
where:
Base-Base interactions energy: -1456.659
where: short stacking energy: -571.207
Base-Backbone interact. energy: -2.067
local terms energy: -622.375879
where:
bonds (distance) C4'-P energy: -122.466
bonds (distance) P-C4' energy: -116.683
flat angles C4'-P-C4' energy: -129.891
flat angles P-C4'-P energy: -82.914
tors. eta vs tors. theta energy: -170.422
Dist. restrs. and SS energy: 10.738 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -1949.418842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.418842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1970.614778 (E_RNA)
where:
Base-Base interactions energy: -1373.281
where: short stacking energy: -549.147
Base-Backbone interact. energy: -1.523
local terms energy: -595.811089
where:
bonds (distance) C4'-P energy: -93.944
bonds (distance) P-C4' energy: -129.279
flat angles C4'-P-C4' energy: -137.573
flat angles P-C4'-P energy: -80.197
tors. eta vs tors. theta energy: -154.819
Dist. restrs. and SS energy: 21.196 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -2782.624897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2782.624897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2784.111152 (E_RNA)
where:
Base-Base interactions energy: -1941.971
where: short stacking energy: -812.619
Base-Backbone interact. energy: -0.924
local terms energy: -841.216349
where:
bonds (distance) C4'-P energy: -143.123
bonds (distance) P-C4' energy: -160.367
flat angles C4'-P-C4' energy: -178.497
flat angles P-C4'-P energy: -113.683
tors. eta vs tors. theta energy: -245.547
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: 8
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -2684.536384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2684.536384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2687.542239 (E_RNA)
where:
Base-Base interactions energy: -1897.705
where: short stacking energy: -796.241
Base-Backbone interact. energy: -1.713
local terms energy: -788.124712
where:
bonds (distance) C4'-P energy: -137.756
bonds (distance) P-C4' energy: -136.342
flat angles C4'-P-C4' energy: -168.727
flat angles P-C4'-P energy: -112.478
tors. eta vs tors. theta energy: -232.822
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: 3, replica: 10
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -2606.331705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2606.331705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2614.393210 (E_RNA)
where:
Base-Base interactions energy: -1836.177
where: short stacking energy: -772.967
Base-Backbone interact. energy: -3.305
local terms energy: -774.910721
where:
bonds (distance) C4'-P energy: -131.566
bonds (distance) P-C4' energy: -135.502
flat angles C4'-P-C4' energy: -171.404
flat angles P-C4'-P energy: -103.286
tors. eta vs tors. theta energy: -233.152
Dist. restrs. and SS energy: 8.062 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -2560.525791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2560.525791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2563.671533 (E_RNA)
where:
Base-Base interactions energy: -1813.562
where: short stacking energy: -769.003
Base-Backbone interact. energy: 1.470
local terms energy: -751.579251
where:
bonds (distance) C4'-P energy: -121.229
bonds (distance) P-C4' energy: -132.062
flat angles C4'-P-C4' energy: -161.131
flat angles P-C4'-P energy: -101.480
tors. eta vs tors. theta energy: -235.676
Dist. restrs. and SS energy: 3.146 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -2430.080786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2430.080786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2440.073401 (E_RNA)
where:
Base-Base interactions energy: -1710.270
where: short stacking energy: -716.386
Base-Backbone interact. energy: -1.536
local terms energy: -728.267555
where:
bonds (distance) C4'-P energy: -130.248
bonds (distance) P-C4' energy: -136.031
flat angles C4'-P-C4' energy: -150.018
flat angles P-C4'-P energy: -98.675
tors. eta vs tors. theta energy: -213.296
Dist. restrs. and SS energy: 9.993 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -2341.604113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2341.604113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2359.805844 (E_RNA)
where:
Base-Base interactions energy: -1638.944
where: short stacking energy: -679.916
Base-Backbone interact. energy: -0.136
local terms energy: -720.725332
where:
bonds (distance) C4'-P energy: -119.285
bonds (distance) P-C4' energy: -146.842
flat angles C4'-P-C4' energy: -147.237
flat angles P-C4'-P energy: -104.337
tors. eta vs tors. theta energy: -203.025
Dist. restrs. and SS energy: 18.202 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -2310.882016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2310.882016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2315.837693 (E_RNA)
where:
Base-Base interactions energy: -1631.579
where: short stacking energy: -680.694
Base-Backbone interact. energy: 0.146
local terms energy: -684.404238
where:
bonds (distance) C4'-P energy: -121.533
bonds (distance) P-C4' energy: -112.132
flat angles C4'-P-C4' energy: -145.041
flat angles P-C4'-P energy: -104.296
tors. eta vs tors. theta energy: -201.403
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: 8, replica: 1
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -2186.384953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2186.384953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2199.837139 (E_RNA)
where:
Base-Base interactions energy: -1544.837
where: short stacking energy: -642.929
Base-Backbone interact. energy: 13.147
local terms energy: -668.147322
where:
bonds (distance) C4'-P energy: -123.610
bonds (distance) P-C4' energy: -138.050
flat angles C4'-P-C4' energy: -154.055
flat angles P-C4'-P energy: -72.463
tors. eta vs tors. theta energy: -179.970
Dist. restrs. and SS energy: 13.452 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -2028.768866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2028.768866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2045.181578 (E_RNA)
where:
Base-Base interactions energy: -1461.184
where: short stacking energy: -592.923
Base-Backbone interact. energy: -2.885
local terms energy: -581.112092
where:
bonds (distance) C4'-P energy: -123.202
bonds (distance) P-C4' energy: -100.014
flat angles C4'-P-C4' energy: -118.033
flat angles P-C4'-P energy: -79.562
tors. eta vs tors. theta energy: -160.301
Dist. restrs. and SS energy: 16.413 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -1978.061320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1978.061320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1992.156792 (E_RNA)
where:
Base-Base interactions energy: -1376.247
where: short stacking energy: -575.583
Base-Backbone interact. energy: 1.734
local terms energy: -617.643637
where:
bonds (distance) C4'-P energy: -123.618
bonds (distance) P-C4' energy: -128.540
flat angles C4'-P-C4' energy: -129.919
flat angles P-C4'-P energy: -68.806
tors. eta vs tors. theta energy: -166.761
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: 1, replica: 2
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -2781.785367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2781.785367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2784.098263 (E_RNA)
where:
Base-Base interactions energy: -1942.801
where: short stacking energy: -822.532
Base-Backbone interact. energy: -2.145
local terms energy: -839.152383
where:
bonds (distance) C4'-P energy: -134.817
bonds (distance) P-C4' energy: -159.383
flat angles C4'-P-C4' energy: -177.736
flat angles P-C4'-P energy: -114.622
tors. eta vs tors. theta energy: -252.595
Dist. restrs. and SS energy: 2.313 (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: 329
Temperature: 0.950000
Total energy: -2660.861857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2660.861857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2666.069236 (E_RNA)
where:
Base-Base interactions energy: -1848.791
where: short stacking energy: -770.518
Base-Backbone interact. energy: -4.040
local terms energy: -813.238491
where:
bonds (distance) C4'-P energy: -149.736
bonds (distance) P-C4' energy: -140.717
flat angles C4'-P-C4' energy: -168.066
flat angles P-C4'-P energy: -114.667
tors. eta vs tors. theta energy: -240.052
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: 3, replica: 8
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -2603.480352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2603.480352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2611.726246 (E_RNA)
where:
Base-Base interactions energy: -1826.624
where: short stacking energy: -771.368
Base-Backbone interact. energy: -0.173
local terms energy: -784.929065
where:
bonds (distance) C4'-P energy: -137.470
bonds (distance) P-C4' energy: -136.320
flat angles C4'-P-C4' energy: -174.497
flat angles P-C4'-P energy: -110.755
tors. eta vs tors. theta energy: -225.886
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: 4, replica: 5
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -2560.540049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2560.540049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2564.380494 (E_RNA)
where:
Base-Base interactions energy: -1809.150
where: short stacking energy: -762.760
Base-Backbone interact. energy: -0.946
local terms energy: -754.284649
where:
bonds (distance) C4'-P energy: -126.481
bonds (distance) P-C4' energy: -128.059
flat angles C4'-P-C4' energy: -148.180
flat angles P-C4'-P energy: -121.035
tors. eta vs tors. theta energy: -230.530
Dist. restrs. and SS energy: 3.840 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -2454.606657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2454.606657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2461.376401 (E_RNA)
where:
Base-Base interactions energy: -1722.087
where: short stacking energy: -719.389
Base-Backbone interact. energy: 0.712
local terms energy: -740.001390
where:
bonds (distance) C4'-P energy: -117.724
bonds (distance) P-C4' energy: -138.084
flat angles C4'-P-C4' energy: -162.422
flat angles P-C4'-P energy: -117.594
tors. eta vs tors. theta energy: -204.178
Dist. restrs. and SS energy: 6.770 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -2356.259858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2356.259858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2360.931131 (E_RNA)
where:
Base-Base interactions energy: -1645.402
where: short stacking energy: -686.901
Base-Backbone interact. energy: -2.967
local terms energy: -712.561802
where:
bonds (distance) C4'-P energy: -123.754
bonds (distance) P-C4' energy: -128.262
flat angles C4'-P-C4' energy: -157.743
flat angles P-C4'-P energy: -97.383
tors. eta vs tors. theta energy: -205.419
Dist. restrs. and SS energy: 4.671 (S_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: 329
Temperature: 1.200000
Total energy: -2315.953814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2315.953814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2329.813935 (E_RNA)
where:
Base-Base interactions energy: -1632.054
where: short stacking energy: -677.019
Base-Backbone interact. energy: 0.882
local terms energy: -698.642431
where:
bonds (distance) C4'-P energy: -108.791
bonds (distance) P-C4' energy: -139.778
flat angles C4'-P-C4' energy: -151.290
flat angles P-C4'-P energy: -94.161
tors. eta vs tors. theta energy: -204.623
Dist. restrs. and SS energy: 13.860 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -2202.107034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2202.107034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2216.160146 (E_RNA)
where:
Base-Base interactions energy: -1544.962
where: short stacking energy: -623.168
Base-Backbone interact. energy: 9.421
local terms energy: -680.618497
where:
bonds (distance) C4'-P energy: -149.939
bonds (distance) P-C4' energy: -118.847
flat angles C4'-P-C4' energy: -151.218
flat angles P-C4'-P energy: -77.762
tors. eta vs tors. theta energy: -182.854
Dist. restrs. and SS energy: 14.053 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -2088.919587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.919587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.708625 (E_RNA)
where:
Base-Base interactions energy: -1474.426
where: short stacking energy: -631.880
Base-Backbone interact. energy: 3.131
local terms energy: -635.413506
where:
bonds (distance) C4'-P energy: -112.429
bonds (distance) P-C4' energy: -116.137
flat angles C4'-P-C4' energy: -149.142
flat angles P-C4'-P energy: -84.799
tors. eta vs tors. theta energy: -172.906
Dist. restrs. and SS energy: 17.789 (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: 9
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -2036.423030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2036.423030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2051.921123 (E_RNA)
where:
Base-Base interactions energy: -1481.368
where: short stacking energy: -609.587
Base-Backbone interact. energy: -2.181
local terms energy: -568.372537
where:
bonds (distance) C4'-P energy: -102.564
bonds (distance) P-C4' energy: -92.620
flat angles C4'-P-C4' energy: -133.904
flat angles P-C4'-P energy: -57.175
tors. eta vs tors. theta energy: -182.109
Dist. restrs. and SS energy: 15.498 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -2794.127591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2794.127591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2796.873152 (E_RNA)
where:
Base-Base interactions energy: -1956.124
where: short stacking energy: -829.516
Base-Backbone interact. energy: -2.205
local terms energy: -838.544543
where:
bonds (distance) C4'-P energy: -147.534
bonds (distance) P-C4' energy: -154.925
flat angles C4'-P-C4' energy: -175.236
flat angles P-C4'-P energy: -110.558
tors. eta vs tors. theta energy: -250.292
Dist. restrs. and SS energy: 2.746 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -2697.631689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2697.631689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2703.474921 (E_RNA)
where:
Base-Base interactions energy: -1886.413
where: short stacking energy: -799.467
Base-Backbone interact. energy: 1.025
local terms energy: -818.087016
where:
bonds (distance) C4'-P energy: -136.536
bonds (distance) P-C4' energy: -150.758
flat angles C4'-P-C4' energy: -175.270
flat angles P-C4'-P energy: -116.082
tors. eta vs tors. theta energy: -239.441
Dist. restrs. and SS energy: 5.843 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -2584.056252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2584.056252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2587.338192 (E_RNA)
where:
Base-Base interactions energy: -1824.525
where: short stacking energy: -762.754
Base-Backbone interact. energy: -5.616
local terms energy: -757.196899
where:
bonds (distance) C4'-P energy: -119.661
bonds (distance) P-C4' energy: -138.092
flat angles C4'-P-C4' energy: -142.592
flat angles P-C4'-P energy: -124.056
tors. eta vs tors. theta energy: -232.795
Dist. restrs. and SS energy: 3.282 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -2561.327461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2561.327461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2566.201793 (E_RNA)
where:
Base-Base interactions energy: -1793.891
where: short stacking energy: -779.838
Base-Backbone interact. energy: -3.827
local terms energy: -768.483586
where:
bonds (distance) C4'-P energy: -140.666
bonds (distance) P-C4' energy: -133.181
flat angles C4'-P-C4' energy: -161.806
flat angles P-C4'-P energy: -103.829
tors. eta vs tors. theta energy: -229.002
Dist. restrs. and SS energy: 4.874 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -2465.376518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2465.376518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2470.135917 (E_RNA)
where:
Base-Base interactions energy: -1732.609
where: short stacking energy: -731.246
Base-Backbone interact. energy: -3.641
local terms energy: -733.885778
where:
bonds (distance) C4'-P energy: -132.650
bonds (distance) P-C4' energy: -124.448
flat angles C4'-P-C4' energy: -145.938
flat angles P-C4'-P energy: -109.758
tors. eta vs tors. theta energy: -221.091
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: 6, replica: 7
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -2379.218988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2379.218988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2383.536641 (E_RNA)
where:
Base-Base interactions energy: -1704.409
where: short stacking energy: -709.026
Base-Backbone interact. energy: -2.688
local terms energy: -676.439668
where:
bonds (distance) C4'-P energy: -112.921
bonds (distance) P-C4' energy: -121.334
flat angles C4'-P-C4' energy: -145.309
flat angles P-C4'-P energy: -94.493
tors. eta vs tors. theta energy: -202.382
Dist. restrs. and SS energy: 4.318 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -2290.264635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2290.264635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2310.780929 (E_RNA)
where:
Base-Base interactions energy: -1625.971
where: short stacking energy: -672.572
Base-Backbone interact. energy: -1.444
local terms energy: -683.365777
where:
bonds (distance) C4'-P energy: -111.196
bonds (distance) P-C4' energy: -116.982
flat angles C4'-P-C4' energy: -155.941
flat angles P-C4'-P energy: -106.688
tors. eta vs tors. theta energy: -192.558
Dist. restrs. and SS energy: 20.516 (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: 1
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -2215.328873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2215.328873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2224.185005 (E_RNA)
where:
Base-Base interactions energy: -1551.569
where: short stacking energy: -640.364
Base-Backbone interact. energy: 3.976
local terms energy: -676.592455
where:
bonds (distance) C4'-P energy: -121.510
bonds (distance) P-C4' energy: -130.118
flat angles C4'-P-C4' energy: -144.953
flat angles P-C4'-P energy: -95.156
tors. eta vs tors. theta energy: -184.855
Dist. restrs. and SS energy: 8.856 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -2034.734099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2034.734099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2058.761925 (E_RNA)
where:
Base-Base interactions energy: -1453.481
where: short stacking energy: -588.265
Base-Backbone interact. energy: -2.550
local terms energy: -602.730940
where:
bonds (distance) C4'-P energy: -99.922
bonds (distance) P-C4' energy: -126.956
flat angles C4'-P-C4' energy: -123.845
flat angles P-C4'-P energy: -74.130
tors. eta vs tors. theta energy: -177.878
Dist. restrs. and SS energy: 24.028 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -1967.284306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1967.284306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2000.378554 (E_RNA)
where:
Base-Base interactions energy: -1409.179
where: short stacking energy: -584.832
Base-Backbone interact. energy: 4.586
local terms energy: -595.785749
where:
bonds (distance) C4'-P energy: -110.645
bonds (distance) P-C4' energy: -122.726
flat angles C4'-P-C4' energy: -124.231
flat angles P-C4'-P energy: -62.804
tors. eta vs tors. theta energy: -175.378
Dist. restrs. and SS energy: 33.094 (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: 2
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -2787.773099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2787.773099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2790.162151 (E_RNA)
where:
Base-Base interactions energy: -1957.470
where: short stacking energy: -813.206
Base-Backbone interact. energy: -1.822
local terms energy: -830.870280
where:
bonds (distance) C4'-P energy: -141.716
bonds (distance) P-C4' energy: -143.776
flat angles C4'-P-C4' energy: -175.694
flat angles P-C4'-P energy: -121.147
tors. eta vs tors. theta energy: -248.538
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: 10
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -2678.453614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2678.453614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2692.732313 (E_RNA)
where:
Base-Base interactions energy: -1874.351
where: short stacking energy: -788.677
Base-Backbone interact. energy: -0.946
local terms energy: -817.435590
where:
bonds (distance) C4'-P energy: -153.384
bonds (distance) P-C4' energy: -140.917
flat angles C4'-P-C4' energy: -168.055
flat angles P-C4'-P energy: -114.959
tors. eta vs tors. theta energy: -240.121
Dist. restrs. and SS energy: 14.279 (S_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: 331
Temperature: 1.000000
Total energy: -2631.550814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2631.550814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2636.569359 (E_RNA)
where:
Base-Base interactions energy: -1849.162
where: short stacking energy: -772.827
Base-Backbone interact. energy: -2.952
local terms energy: -784.455571
where:
bonds (distance) C4'-P energy: -140.308
bonds (distance) P-C4' energy: -139.747
flat angles C4'-P-C4' energy: -176.168
flat angles P-C4'-P energy: -97.386
tors. eta vs tors. theta energy: -230.846
Dist. restrs. and SS energy: 5.019 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -2564.328055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2564.328055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2570.678433 (E_RNA)
where:
Base-Base interactions energy: -1782.914
where: short stacking energy: -769.419
Base-Backbone interact. energy: -6.438
local terms energy: -781.327209
where:
bonds (distance) C4'-P energy: -130.580
bonds (distance) P-C4' energy: -136.760
flat angles C4'-P-C4' energy: -171.731
flat angles P-C4'-P energy: -110.623
tors. eta vs tors. theta energy: -231.633
Dist. restrs. and SS energy: 6.350 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -2465.833996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2465.833996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2472.831043 (E_RNA)
where:
Base-Base interactions energy: -1740.353
where: short stacking energy: -744.338
Base-Backbone interact. energy: 0.563
local terms energy: -733.041040
where:
bonds (distance) C4'-P energy: -120.366
bonds (distance) P-C4' energy: -127.545
flat angles C4'-P-C4' energy: -161.671
flat angles P-C4'-P energy: -109.053
tors. eta vs tors. theta energy: -214.407
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: 6, replica: 7
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -2324.707035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2324.707035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2333.090965 (E_RNA)
where:
Base-Base interactions energy: -1668.333
where: short stacking energy: -715.282
Base-Backbone interact. energy: -2.621
local terms energy: -662.136907
where:
bonds (distance) C4'-P energy: -100.491
bonds (distance) P-C4' energy: -115.152
flat angles C4'-P-C4' energy: -145.555
flat angles P-C4'-P energy: -94.088
tors. eta vs tors. theta energy: -206.850
Dist. restrs. and SS energy: 8.384 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -2293.939603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2293.939603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2306.863762 (E_RNA)
where:
Base-Base interactions energy: -1613.471
where: short stacking energy: -691.419
Base-Backbone interact. energy: 1.370
local terms energy: -694.762572
where:
bonds (distance) C4'-P energy: -134.095
bonds (distance) P-C4' energy: -100.349
flat angles C4'-P-C4' energy: -138.022
flat angles P-C4'-P energy: -115.502
tors. eta vs tors. theta energy: -206.795
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: 8, replica: 1
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -2226.014664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2226.014664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2237.040201 (E_RNA)
where:
Base-Base interactions energy: -1603.951
where: short stacking energy: -664.039
Base-Backbone interact. energy: 3.773
local terms energy: -636.862849
where:
bonds (distance) C4'-P energy: -96.834
bonds (distance) P-C4' energy: -128.105
flat angles C4'-P-C4' energy: -135.195
flat angles P-C4'-P energy: -91.066
tors. eta vs tors. theta energy: -185.663
Dist. restrs. and SS energy: 11.026 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -2075.951958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2075.951958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2094.975104 (E_RNA)
where:
Base-Base interactions energy: -1471.722
where: short stacking energy: -615.589
Base-Backbone interact. energy: -4.254
local terms energy: -618.999266
where:
bonds (distance) C4'-P energy: -122.523
bonds (distance) P-C4' energy: -107.910
flat angles C4'-P-C4' energy: -130.858
flat angles P-C4'-P energy: -94.562
tors. eta vs tors. theta energy: -163.147
Dist. restrs. and SS energy: 19.023 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -1974.844759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.844759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1993.255811 (E_RNA)
where:
Base-Base interactions energy: -1411.908
where: short stacking energy: -583.823
Base-Backbone interact. energy: -4.096
local terms energy: -577.251818
where:
bonds (distance) C4'-P energy: -103.055
bonds (distance) P-C4' energy: -91.902
flat angles C4'-P-C4' energy: -134.808
flat angles P-C4'-P energy: -73.353
tors. eta vs tors. theta energy: -174.134
Dist. restrs. and SS energy: 18.411 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -2791.152916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2791.152916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2793.752711 (E_RNA)
where:
Base-Base interactions energy: -1975.798
where: short stacking energy: -816.730
Base-Backbone interact. energy: -1.656
local terms energy: -816.298545
where:
bonds (distance) C4'-P energy: -150.080
bonds (distance) P-C4' energy: -134.946
flat angles C4'-P-C4' energy: -165.304
flat angles P-C4'-P energy: -117.662
tors. eta vs tors. theta energy: -248.307
Dist. restrs. and SS energy: 2.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -2713.405179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2713.405179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2719.091280 (E_RNA)
where:
Base-Base interactions energy: -1924.399
where: short stacking energy: -822.441
Base-Backbone interact. energy: -5.625
local terms energy: -789.066756
where:
bonds (distance) C4'-P energy: -141.316
bonds (distance) P-C4' energy: -128.566
flat angles C4'-P-C4' energy: -173.776
flat angles P-C4'-P energy: -105.084
tors. eta vs tors. theta energy: -240.324
Dist. restrs. and SS energy: 5.686 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -2630.240453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2630.240453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2632.896416 (E_RNA)
where:
Base-Base interactions energy: -1863.367
where: short stacking energy: -797.729
Base-Backbone interact. energy: -2.141
local terms energy: -767.388306
where:
bonds (distance) C4'-P energy: -127.911
bonds (distance) P-C4' energy: -130.907
flat angles C4'-P-C4' energy: -174.572
flat angles P-C4'-P energy: -103.253
tors. eta vs tors. theta energy: -230.746
Dist. restrs. and SS energy: 2.656 (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: 8
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -2547.655882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2547.655882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2553.049033 (E_RNA)
where:
Base-Base interactions energy: -1791.518
where: short stacking energy: -760.641
Base-Backbone interact. energy: -4.553
local terms energy: -756.977977
where:
bonds (distance) C4'-P energy: -128.465
bonds (distance) P-C4' energy: -133.625
flat angles C4'-P-C4' energy: -154.909
flat angles P-C4'-P energy: -104.109
tors. eta vs tors. theta energy: -235.869
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: 3
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -2464.967407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2464.967407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2470.055446 (E_RNA)
where:
Base-Base interactions energy: -1717.086
where: short stacking energy: -721.777
Base-Backbone interact. energy: -2.139
local terms energy: -750.829750
where:
bonds (distance) C4'-P energy: -116.144
bonds (distance) P-C4' energy: -136.163
flat angles C4'-P-C4' energy: -168.960
flat angles P-C4'-P energy: -101.890
tors. eta vs tors. theta energy: -227.673
Dist. restrs. and SS energy: 5.088 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -2375.474314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2375.474314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2377.346006 (E_RNA)
where:
Base-Base interactions energy: -1657.772
where: short stacking energy: -685.587
Base-Backbone interact. energy: 2.681
local terms energy: -722.255533
where:
bonds (distance) C4'-P energy: -126.554
bonds (distance) P-C4' energy: -148.102
flat angles C4'-P-C4' energy: -151.070
flat angles P-C4'-P energy: -95.108
tors. eta vs tors. theta energy: -201.421
Dist. restrs. and SS energy: 1.872 (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: 4
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -2332.031624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2332.031624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2343.626221 (E_RNA)
where:
Base-Base interactions energy: -1647.102
where: short stacking energy: -708.194
Base-Backbone interact. energy: 2.010
local terms energy: -698.533562
where:
bonds (distance) C4'-P energy: -129.146
bonds (distance) P-C4' energy: -133.791
flat angles C4'-P-C4' energy: -140.729
flat angles P-C4'-P energy: -79.852
tors. eta vs tors. theta energy: -215.015
Dist. restrs. and SS energy: 11.595 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -2161.811945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2161.811945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2174.963002 (E_RNA)
where:
Base-Base interactions energy: -1520.411
where: short stacking energy: -620.113
Base-Backbone interact. energy: -1.216
local terms energy: -653.335385
where:
bonds (distance) C4'-P energy: -114.839
bonds (distance) P-C4' energy: -115.965
flat angles C4'-P-C4' energy: -154.931
flat angles P-C4'-P energy: -92.691
tors. eta vs tors. theta energy: -174.910
Dist. restrs. and SS energy: 13.151 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -2055.401689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2055.401689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2069.272736 (E_RNA)
where:
Base-Base interactions energy: -1453.587
where: short stacking energy: -593.058
Base-Backbone interact. energy: -0.404
local terms energy: -615.282314
where:
bonds (distance) C4'-P energy: -100.875
bonds (distance) P-C4' energy: -126.813
flat angles C4'-P-C4' energy: -127.808
flat angles P-C4'-P energy: -84.205
tors. eta vs tors. theta energy: -175.582
Dist. restrs. and SS energy: 13.871 (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: 9
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -1974.042858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.042858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1993.828084 (E_RNA)
where:
Base-Base interactions energy: -1393.465
where: short stacking energy: -588.979
Base-Backbone interact. energy: -1.334
local terms energy: -599.029453
where:
bonds (distance) C4'-P energy: -106.750
bonds (distance) P-C4' energy: -110.391
flat angles C4'-P-C4' energy: -130.696
flat angles P-C4'-P energy: -78.516
tors. eta vs tors. theta energy: -172.677
Dist. restrs. and SS energy: 19.785 (S_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: 333
Temperature: 0.900000
Total energy: -2792.279214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2792.279214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2795.285458 (E_RNA)
where:
Base-Base interactions energy: -1972.235
where: short stacking energy: -826.207
Base-Backbone interact. energy: -1.958
local terms energy: -821.092868
where:
bonds (distance) C4'-P energy: -143.376
bonds (distance) P-C4' energy: -137.164
flat angles C4'-P-C4' energy: -167.783
flat angles P-C4'-P energy: -118.618
tors. eta vs tors. theta energy: -254.152
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: 10
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -2705.123529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2705.123529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2716.086068 (E_RNA)
where:
Base-Base interactions energy: -1924.609
where: short stacking energy: -801.313
Base-Backbone interact. energy: -2.949
local terms energy: -788.528273
where:
bonds (distance) C4'-P energy: -141.430
bonds (distance) P-C4' energy: -135.630
flat angles C4'-P-C4' energy: -159.887
flat angles P-C4'-P energy: -112.399
tors. eta vs tors. theta energy: -239.181
Dist. restrs. and SS energy: 10.963 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -2582.535463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2582.535463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2587.805160 (E_RNA)
where:
Base-Base interactions energy: -1782.706
where: short stacking energy: -754.539
Base-Backbone interact. energy: -1.050
local terms energy: -804.049340
where:
bonds (distance) C4'-P energy: -152.074
bonds (distance) P-C4' energy: -140.941
flat angles C4'-P-C4' energy: -167.520
flat angles P-C4'-P energy: -116.481
tors. eta vs tors. theta energy: -227.033
Dist. restrs. and SS energy: 5.270 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -2545.277102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2545.277102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2548.980350 (E_RNA)
where:
Base-Base interactions energy: -1788.456
where: short stacking energy: -755.150
Base-Backbone interact. energy: -2.213
local terms energy: -758.311560
where:
bonds (distance) C4'-P energy: -129.026
bonds (distance) P-C4' energy: -138.032
flat angles C4'-P-C4' energy: -161.170
flat angles P-C4'-P energy: -104.963
tors. eta vs tors. theta energy: -225.120
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: 5, replica: 3
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -2484.840867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2484.840867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2492.566223 (E_RNA)
where:
Base-Base interactions energy: -1757.120
where: short stacking energy: -736.954
Base-Backbone interact. energy: -0.550
local terms energy: -734.896379
where:
bonds (distance) C4'-P energy: -125.163
bonds (distance) P-C4' energy: -143.400
flat angles C4'-P-C4' energy: -148.590
flat angles P-C4'-P energy: -103.709
tors. eta vs tors. theta energy: -214.034
Dist. restrs. and SS energy: 7.725 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -2335.230044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2335.230044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2346.305556 (E_RNA)
where:
Base-Base interactions energy: -1645.556
where: short stacking energy: -685.588
Base-Backbone interact. energy: -1.660
local terms energy: -699.090302
where:
bonds (distance) C4'-P energy: -122.339
bonds (distance) P-C4' energy: -115.616
flat angles C4'-P-C4' energy: -141.469
flat angles P-C4'-P energy: -111.641
tors. eta vs tors. theta energy: -208.025
Dist. restrs. and SS energy: 11.076 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -2298.264322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2298.264322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2303.167119 (E_RNA)
where:
Base-Base interactions energy: -1605.007
where: short stacking energy: -648.644
Base-Backbone interact. energy: -1.778
local terms energy: -696.382117
where:
bonds (distance) C4'-P energy: -115.852
bonds (distance) P-C4' energy: -128.332
flat angles C4'-P-C4' energy: -153.258
flat angles P-C4'-P energy: -104.202
tors. eta vs tors. theta energy: -194.737
Dist. restrs. and SS energy: 4.903 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -2140.878366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2140.878366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2153.058792 (E_RNA)
where:
Base-Base interactions energy: -1505.918
where: short stacking energy: -609.644
Base-Backbone interact. energy: -2.646
local terms energy: -644.494852
where:
bonds (distance) C4'-P energy: -120.313
bonds (distance) P-C4' energy: -112.525
flat angles C4'-P-C4' energy: -146.098
flat angles P-C4'-P energy: -103.852
tors. eta vs tors. theta energy: -161.706
Dist. restrs. and SS energy: 12.180 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -2020.182532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2020.182532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2043.381847 (E_RNA)
where:
Base-Base interactions energy: -1484.149
where: short stacking energy: -590.292
Base-Backbone interact. energy: 4.111
local terms energy: -563.343864
where:
bonds (distance) C4'-P energy: -79.026
bonds (distance) P-C4' energy: -112.634
flat angles C4'-P-C4' energy: -141.343
flat angles P-C4'-P energy: -70.524
tors. eta vs tors. theta energy: -159.816
Dist. restrs. and SS energy: 23.199 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -1902.733477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.733477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1935.174400 (E_RNA)
where:
Base-Base interactions energy: -1353.572
where: short stacking energy: -539.533
Base-Backbone interact. energy: 5.658
local terms energy: -587.260953
where:
bonds (distance) C4'-P energy: -110.058
bonds (distance) P-C4' energy: -121.737
flat angles C4'-P-C4' energy: -130.763
flat angles P-C4'-P energy: -93.627
tors. eta vs tors. theta energy: -131.076
Dist. restrs. and SS energy: 32.441 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -2789.186860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2789.186860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2791.345734 (E_RNA)
where:
Base-Base interactions energy: -1962.760
where: short stacking energy: -823.104
Base-Backbone interact. energy: -2.696
local terms energy: -825.889899
where:
bonds (distance) C4'-P energy: -138.599
bonds (distance) P-C4' energy: -148.420
flat angles C4'-P-C4' energy: -170.410
flat angles P-C4'-P energy: -116.842
tors. eta vs tors. theta energy: -251.619
Dist. restrs. and SS energy: 2.159 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -2715.770018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2715.770018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2727.188196 (E_RNA)
where:
Base-Base interactions energy: -1912.140
where: short stacking energy: -806.811
Base-Backbone interact. energy: -0.705
local terms energy: -814.343658
where:
bonds (distance) C4'-P energy: -139.070
bonds (distance) P-C4' energy: -137.343
flat angles C4'-P-C4' energy: -174.953
flat angles P-C4'-P energy: -122.688
tors. eta vs tors. theta energy: -240.290
Dist. restrs. and SS energy: 11.418 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -2590.666035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2590.666035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2597.076161 (E_RNA)
where:
Base-Base interactions energy: -1835.657
where: short stacking energy: -756.153
Base-Backbone interact. energy: -1.170
local terms energy: -760.249292
where:
bonds (distance) C4'-P energy: -134.333
bonds (distance) P-C4' energy: -117.657
flat angles C4'-P-C4' energy: -160.461
flat angles P-C4'-P energy: -120.909
tors. eta vs tors. theta energy: -226.889
Dist. restrs. and SS energy: 6.410 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -2536.336196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2536.336196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2543.519629 (E_RNA)
where:
Base-Base interactions energy: -1748.875
where: short stacking energy: -738.235
Base-Backbone interact. energy: -0.471
local terms energy: -794.173530
where:
bonds (distance) C4'-P energy: -142.629
bonds (distance) P-C4' energy: -155.440
flat angles C4'-P-C4' energy: -159.691
flat angles P-C4'-P energy: -116.822
tors. eta vs tors. theta energy: -219.592
Dist. restrs. and SS energy: 7.183 (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: 3
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -2457.850530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2457.850530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2468.461254 (E_RNA)
where:
Base-Base interactions energy: -1724.500
where: short stacking energy: -735.337
Base-Backbone interact. energy: -2.038
local terms energy: -741.923741
where:
bonds (distance) C4'-P energy: -140.046
bonds (distance) P-C4' energy: -134.282
flat angles C4'-P-C4' energy: -158.539
flat angles P-C4'-P energy: -89.830
tors. eta vs tors. theta energy: -219.227
Dist. restrs. and SS energy: 10.611 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -2356.032944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2356.032944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2366.483401 (E_RNA)
where:
Base-Base interactions energy: -1644.590
where: short stacking energy: -692.428
Base-Backbone interact. energy: -0.046
local terms energy: -721.847835
where:
bonds (distance) C4'-P energy: -146.723
bonds (distance) P-C4' energy: -134.555
flat angles C4'-P-C4' energy: -142.604
flat angles P-C4'-P energy: -79.273
tors. eta vs tors. theta energy: -218.694
Dist. restrs. and SS energy: 10.450 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -2276.190479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2276.190479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2282.142136 (E_RNA)
where:
Base-Base interactions energy: -1599.173
where: short stacking energy: -682.788
Base-Backbone interact. energy: -4.942
local terms energy: -678.026992
where:
bonds (distance) C4'-P energy: -124.921
bonds (distance) P-C4' energy: -109.980
flat angles C4'-P-C4' energy: -140.725
flat angles P-C4'-P energy: -96.340
tors. eta vs tors. theta energy: -206.061
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: 8, replica: 1
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -2096.851082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2096.851082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2111.471741 (E_RNA)
where:
Base-Base interactions energy: -1475.831
where: short stacking energy: -610.549
Base-Backbone interact. energy: -2.464
local terms energy: -633.176475
where:
bonds (distance) C4'-P energy: -125.355
bonds (distance) P-C4' energy: -118.686
flat angles C4'-P-C4' energy: -142.388
flat angles P-C4'-P energy: -70.141
tors. eta vs tors. theta energy: -176.606
Dist. restrs. and SS energy: 14.621 (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: 334
Temperature: 1.300000
Total energy: -2045.103638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2045.103638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2068.102018 (E_RNA)
where:
Base-Base interactions energy: -1422.842
where: short stacking energy: -580.376
Base-Backbone interact. energy: -3.245
local terms energy: -642.015034
where:
bonds (distance) C4'-P energy: -124.314
bonds (distance) P-C4' energy: -128.106
flat angles C4'-P-C4' energy: -136.328
flat angles P-C4'-P energy: -93.904
tors. eta vs tors. theta energy: -159.364
Dist. restrs. and SS energy: 22.998 (S_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: 334
Temperature: 1.350000
Total energy: -1941.687473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1941.687473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1963.335540 (E_RNA)
where:
Base-Base interactions energy: -1373.988
where: short stacking energy: -559.307
Base-Backbone interact. energy: 7.790
local terms energy: -597.137778
where:
bonds (distance) C4'-P energy: -115.065
bonds (distance) P-C4' energy: -116.743
flat angles C4'-P-C4' energy: -138.029
flat angles P-C4'-P energy: -70.452
tors. eta vs tors. theta energy: -156.849
Dist. restrs. and SS energy: 21.648 (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: 2
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -2767.826017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2767.826017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2771.517945 (E_RNA)
where:
Base-Base interactions energy: -1968.129
where: short stacking energy: -797.869
Base-Backbone interact. energy: -1.640
local terms energy: -801.749237
where:
bonds (distance) C4'-P energy: -135.358
bonds (distance) P-C4' energy: -138.476
flat angles C4'-P-C4' energy: -171.840
flat angles P-C4'-P energy: -117.996
tors. eta vs tors. theta energy: -238.080
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: 2, replica: 5
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -2673.448518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2673.448518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2679.241323 (E_RNA)
where:
Base-Base interactions energy: -1843.075
where: short stacking energy: -784.496
Base-Backbone interact. energy: -1.610
local terms energy: -834.555766
where:
bonds (distance) C4'-P energy: -151.052
bonds (distance) P-C4' energy: -139.591
flat angles C4'-P-C4' energy: -180.038
flat angles P-C4'-P energy: -125.171
tors. eta vs tors. theta energy: -238.704
Dist. restrs. and SS energy: 5.793 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -2630.631991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2630.631991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2642.523715 (E_RNA)
where:
Base-Base interactions energy: -1849.701
where: short stacking energy: -771.603
Base-Backbone interact. energy: -1.369
local terms energy: -791.454306
where:
bonds (distance) C4'-P energy: -153.099
bonds (distance) P-C4' energy: -136.336
flat angles C4'-P-C4' energy: -158.301
flat angles P-C4'-P energy: -108.802
tors. eta vs tors. theta energy: -234.916
Dist. restrs. and SS energy: 11.892 (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: 8
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -2535.692059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2535.692059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2541.185199 (E_RNA)
where:
Base-Base interactions energy: -1766.869
where: short stacking energy: -759.614
Base-Backbone interact. energy: -2.808
local terms energy: -771.508262
where:
bonds (distance) C4'-P energy: -138.745
bonds (distance) P-C4' energy: -133.961
flat angles C4'-P-C4' energy: -163.057
flat angles P-C4'-P energy: -112.283
tors. eta vs tors. theta energy: -223.462
Dist. restrs. and SS energy: 5.493 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -2426.107237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2426.107237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2431.204291 (E_RNA)
where:
Base-Base interactions energy: -1701.234
where: short stacking energy: -733.725
Base-Backbone interact. energy: -0.734
local terms energy: -729.236348
where:
bonds (distance) C4'-P energy: -118.453
bonds (distance) P-C4' energy: -129.235
flat angles C4'-P-C4' energy: -159.748
flat angles P-C4'-P energy: -102.931
tors. eta vs tors. theta energy: -218.869
Dist. restrs. and SS energy: 5.097 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -2337.042660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2337.042660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2350.297645 (E_RNA)
where:
Base-Base interactions energy: -1640.101
where: short stacking energy: -713.401
Base-Backbone interact. energy: -2.262
local terms energy: -707.934357
where:
bonds (distance) C4'-P energy: -117.624
bonds (distance) P-C4' energy: -127.062
flat angles C4'-P-C4' energy: -149.233
flat angles P-C4'-P energy: -106.546
tors. eta vs tors. theta energy: -207.469
Dist. restrs. and SS energy: 13.255 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -2279.192892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2279.192892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2290.254354 (E_RNA)
where:
Base-Base interactions energy: -1596.148
where: short stacking energy: -697.543
Base-Backbone interact. energy: 2.949
local terms energy: -697.055334
where:
bonds (distance) C4'-P energy: -112.528
bonds (distance) P-C4' energy: -129.857
flat angles C4'-P-C4' energy: -145.818
flat angles P-C4'-P energy: -106.845
tors. eta vs tors. theta energy: -202.008
Dist. restrs. and SS energy: 11.061 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -2081.605206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2081.605206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.434472 (E_RNA)
where:
Base-Base interactions energy: -1495.280
where: short stacking energy: -619.908
Base-Backbone interact. energy: 1.099
local terms energy: -599.253263
where:
bonds (distance) C4'-P energy: -113.747
bonds (distance) P-C4' energy: -113.854
flat angles C4'-P-C4' energy: -141.182
flat angles P-C4'-P energy: -53.009
tors. eta vs tors. theta energy: -177.461
Dist. restrs. and SS energy: 11.829 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -2048.658322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2048.658322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2061.332127 (E_RNA)
where:
Base-Base interactions energy: -1427.740
where: short stacking energy: -584.873
Base-Backbone interact. energy: -1.629
local terms energy: -631.962438
where:
bonds (distance) C4'-P energy: -111.721
bonds (distance) P-C4' energy: -127.199
flat angles C4'-P-C4' energy: -141.250
flat angles P-C4'-P energy: -81.901
tors. eta vs tors. theta energy: -169.892
Dist. restrs. and SS energy: 12.674 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -1942.430975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.430975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.137659 (E_RNA)
where:
Base-Base interactions energy: -1405.768
where: short stacking energy: -600.066
Base-Backbone interact. energy: -0.935
local terms energy: -561.434125
where:
bonds (distance) C4'-P energy: -122.105
bonds (distance) P-C4' energy: -88.717
flat angles C4'-P-C4' energy: -128.230
flat angles P-C4'-P energy: -59.748
tors. eta vs tors. theta energy: -162.634
Dist. restrs. and SS energy: 25.707 (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: 2
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -2763.333437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2763.333437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2766.771881 (E_RNA)
where:
Base-Base interactions energy: -1959.375
where: short stacking energy: -817.321
Base-Backbone interact. energy: -5.935
local terms energy: -801.461799
where:
bonds (distance) C4'-P energy: -132.422
bonds (distance) P-C4' energy: -139.826
flat angles C4'-P-C4' energy: -167.966
flat angles P-C4'-P energy: -125.110
tors. eta vs tors. theta energy: -236.139
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: 2, replica: 5
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -2672.376333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2672.376333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2677.191309 (E_RNA)
where:
Base-Base interactions energy: -1884.441
where: short stacking energy: -788.853
Base-Backbone interact. energy: -2.895
local terms energy: -789.855431
where:
bonds (distance) C4'-P energy: -124.294
bonds (distance) P-C4' energy: -153.518
flat angles C4'-P-C4' energy: -165.350
flat angles P-C4'-P energy: -108.732
tors. eta vs tors. theta energy: -237.961
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: 3, replica: 10
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -2651.608444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2651.608444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2660.520954 (E_RNA)
where:
Base-Base interactions energy: -1859.034
where: short stacking energy: -756.797
Base-Backbone interact. energy: -1.169
local terms energy: -800.318540
where:
bonds (distance) C4'-P energy: -143.621
bonds (distance) P-C4' energy: -140.865
flat angles C4'-P-C4' energy: -169.063
flat angles P-C4'-P energy: -107.517
tors. eta vs tors. theta energy: -239.253
Dist. restrs. and SS energy: 8.913 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -2533.327968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2533.327968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2537.696852 (E_RNA)
where:
Base-Base interactions energy: -1761.113
where: short stacking energy: -750.161
Base-Backbone interact. energy: -1.439
local terms energy: -775.144845
where:
bonds (distance) C4'-P energy: -130.445
bonds (distance) P-C4' energy: -142.130
flat angles C4'-P-C4' energy: -159.183
flat angles P-C4'-P energy: -108.975
tors. eta vs tors. theta energy: -234.412
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: 5, replica: 3
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -2458.073837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2458.073837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2468.072644 (E_RNA)
where:
Base-Base interactions energy: -1707.567
where: short stacking energy: -750.837
Base-Backbone interact. energy: -4.149
local terms energy: -756.356289
where:
bonds (distance) C4'-P energy: -154.665
bonds (distance) P-C4' energy: -124.363
flat angles C4'-P-C4' energy: -152.258
flat angles P-C4'-P energy: -96.903
tors. eta vs tors. theta energy: -228.167
Dist. restrs. and SS energy: 9.999 (S_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: 336
Temperature: 1.150000
Total energy: -2333.081351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2333.081351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2348.920959 (E_RNA)
where:
Base-Base interactions energy: -1611.194
where: short stacking energy: -687.197
Base-Backbone interact. energy: 0.574
local terms energy: -738.300291
where:
bonds (distance) C4'-P energy: -127.867
bonds (distance) P-C4' energy: -143.282
flat angles C4'-P-C4' energy: -149.459
flat angles P-C4'-P energy: -107.627
tors. eta vs tors. theta energy: -210.065
Dist. restrs. and SS energy: 15.840 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -2296.996055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2296.996055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2303.075597 (E_RNA)
where:
Base-Base interactions energy: -1641.644
where: short stacking energy: -684.539
Base-Backbone interact. energy: -1.928
local terms energy: -659.503505
where:
bonds (distance) C4'-P energy: -106.050
bonds (distance) P-C4' energy: -122.172
flat angles C4'-P-C4' energy: -146.644
flat angles P-C4'-P energy: -93.050
tors. eta vs tors. theta energy: -191.589
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: 8, replica: 1
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -2125.452250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2125.452250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2137.570817 (E_RNA)
where:
Base-Base interactions energy: -1534.759
where: short stacking energy: -614.226
Base-Backbone interact. energy: -3.926
local terms energy: -598.885655
where:
bonds (distance) C4'-P energy: -114.621
bonds (distance) P-C4' energy: -106.450
flat angles C4'-P-C4' energy: -133.825
flat angles P-C4'-P energy: -81.430
tors. eta vs tors. theta energy: -162.561
Dist. restrs. and SS energy: 12.119 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -2027.240312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2027.240312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2044.064324 (E_RNA)
where:
Base-Base interactions energy: -1452.863
where: short stacking energy: -624.260
Base-Backbone interact. energy: -3.520
local terms energy: -587.681677
where:
bonds (distance) C4'-P energy: -108.494
bonds (distance) P-C4' energy: -115.815
flat angles C4'-P-C4' energy: -115.131
flat angles P-C4'-P energy: -73.394
tors. eta vs tors. theta energy: -174.847
Dist. restrs. and SS energy: 16.824 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -1993.673254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1993.673254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2030.884260 (E_RNA)
where:
Base-Base interactions energy: -1434.868
where: short stacking energy: -563.580
Base-Backbone interact. energy: 3.080
local terms energy: -599.096220
where:
bonds (distance) C4'-P energy: -116.768
bonds (distance) P-C4' energy: -112.029
flat angles C4'-P-C4' energy: -136.891
flat angles P-C4'-P energy: -82.979
tors. eta vs tors. theta energy: -150.429
Dist. restrs. and SS energy: 37.211 (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: 2
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -2782.385950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2782.385950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2785.744536 (E_RNA)
where:
Base-Base interactions energy: -1973.694
where: short stacking energy: -829.277
Base-Backbone interact. energy: -4.085
local terms energy: -807.965891
where:
bonds (distance) C4'-P energy: -123.901
bonds (distance) P-C4' energy: -146.826
flat angles C4'-P-C4' energy: -173.112
flat angles P-C4'-P energy: -116.631
tors. eta vs tors. theta energy: -247.495
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: 2, replica: 5
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -2666.308329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2666.308329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2669.958611 (E_RNA)
where:
Base-Base interactions energy: -1863.319
where: short stacking energy: -800.806
Base-Backbone interact. energy: -4.199
local terms energy: -802.439799
where:
bonds (distance) C4'-P energy: -128.348
bonds (distance) P-C4' energy: -133.401
flat angles C4'-P-C4' energy: -174.201
flat angles P-C4'-P energy: -124.246
tors. eta vs tors. theta energy: -242.243
Dist. restrs. and SS energy: 3.650 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -2655.677994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2655.677994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2665.445833 (E_RNA)
where:
Base-Base interactions energy: -1882.680
where: short stacking energy: -782.478
Base-Backbone interact. energy: -1.048
local terms energy: -781.717479
where:
bonds (distance) C4'-P energy: -133.211
bonds (distance) P-C4' energy: -130.936
flat angles C4'-P-C4' energy: -170.285
flat angles P-C4'-P energy: -107.659
tors. eta vs tors. theta energy: -239.626
Dist. restrs. and SS energy: 9.768 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -2523.409613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2523.409613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2530.207115 (E_RNA)
where:
Base-Base interactions energy: -1788.126
where: short stacking energy: -779.729
Base-Backbone interact. energy: -0.384
local terms energy: -741.696883
where:
bonds (distance) C4'-P energy: -118.700
bonds (distance) P-C4' energy: -140.411
flat angles C4'-P-C4' energy: -157.719
flat angles P-C4'-P energy: -93.545
tors. eta vs tors. theta energy: -231.322
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: 5, replica: 3
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -2426.699830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2426.699830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2433.882361 (E_RNA)
where:
Base-Base interactions energy: -1741.025
where: short stacking energy: -726.118
Base-Backbone interact. energy: -0.283
local terms energy: -692.574528
where:
bonds (distance) C4'-P energy: -112.943
bonds (distance) P-C4' energy: -115.110
flat angles C4'-P-C4' energy: -151.566
flat angles P-C4'-P energy: -104.687
tors. eta vs tors. theta energy: -208.270
Dist. restrs. and SS energy: 7.183 (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: 4
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -2344.349169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2344.349169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2360.015100 (E_RNA)
where:
Base-Base interactions energy: -1659.055
where: short stacking energy: -702.692
Base-Backbone interact. energy: -4.469
local terms energy: -696.491517
where:
bonds (distance) C4'-P energy: -116.616
bonds (distance) P-C4' energy: -126.823
flat angles C4'-P-C4' energy: -154.891
flat angles P-C4'-P energy: -89.798
tors. eta vs tors. theta energy: -208.362
Dist. restrs. and SS energy: 15.666 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -2298.413247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2298.413247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2308.790917 (E_RNA)
where:
Base-Base interactions energy: -1603.537
where: short stacking energy: -685.123
Base-Backbone interact. energy: -3.909
local terms energy: -701.344895
where:
bonds (distance) C4'-P energy: -125.344
bonds (distance) P-C4' energy: -142.504
flat angles C4'-P-C4' energy: -146.811
flat angles P-C4'-P energy: -92.479
tors. eta vs tors. theta energy: -194.205
Dist. restrs. and SS energy: 10.378 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -2172.535533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2172.535533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2183.430602 (E_RNA)
where:
Base-Base interactions energy: -1544.239
where: short stacking energy: -632.559
Base-Backbone interact. energy: 0.624
local terms energy: -639.815715
where:
bonds (distance) C4'-P energy: -124.811
bonds (distance) P-C4' energy: -114.359
flat angles C4'-P-C4' energy: -130.714
flat angles P-C4'-P energy: -88.935
tors. eta vs tors. theta energy: -180.997
Dist. restrs. and SS energy: 10.895 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -2102.704273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2102.704273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2116.431443 (E_RNA)
where:
Base-Base interactions energy: -1512.252
where: short stacking energy: -616.597
Base-Backbone interact. energy: -2.044
local terms energy: -602.135297
where:
bonds (distance) C4'-P energy: -111.701
bonds (distance) P-C4' energy: -115.418
flat angles C4'-P-C4' energy: -126.182
flat angles P-C4'-P energy: -68.379
tors. eta vs tors. theta energy: -180.455
Dist. restrs. and SS energy: 13.727 (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: 9
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -1954.052391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1954.052391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1974.321612 (E_RNA)
where:
Base-Base interactions energy: -1390.714
where: short stacking energy: -545.146
Base-Backbone interact. energy: 3.049
local terms energy: -586.656444
where:
bonds (distance) C4'-P energy: -112.212
bonds (distance) P-C4' energy: -110.156
flat angles C4'-P-C4' energy: -129.573
flat angles P-C4'-P energy: -86.405
tors. eta vs tors. theta energy: -148.309
Dist. restrs. and SS energy: 20.269 (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: 2
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -2789.233212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2789.233212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2792.088088 (E_RNA)
where:
Base-Base interactions energy: -1952.991
where: short stacking energy: -809.168
Base-Backbone interact. energy: -1.532
local terms energy: -837.565426
where:
bonds (distance) C4'-P energy: -136.601
bonds (distance) P-C4' energy: -151.768
flat angles C4'-P-C4' energy: -181.795
flat angles P-C4'-P energy: -123.217
tors. eta vs tors. theta energy: -244.184
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: 2, replica: 5
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -2649.113712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2649.113712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2652.400263 (E_RNA)
where:
Base-Base interactions energy: -1859.216
where: short stacking energy: -780.255
Base-Backbone interact. energy: -4.100
local terms energy: -789.084383
where:
bonds (distance) C4'-P energy: -135.675
bonds (distance) P-C4' energy: -133.913
flat angles C4'-P-C4' energy: -168.836
flat angles P-C4'-P energy: -111.307
tors. eta vs tors. theta energy: -239.354
Dist. restrs. and SS energy: 3.287 (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: 10
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -2645.383861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2645.383861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2655.822512 (E_RNA)
where:
Base-Base interactions energy: -1865.425
where: short stacking energy: -755.670
Base-Backbone interact. energy: -3.069
local terms energy: -787.329130
where:
bonds (distance) C4'-P energy: -134.771
bonds (distance) P-C4' energy: -129.667
flat angles C4'-P-C4' energy: -163.070
flat angles P-C4'-P energy: -122.909
tors. eta vs tors. theta energy: -236.912
Dist. restrs. and SS energy: 10.439 (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: 8
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -2531.513018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2531.513018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2536.002849 (E_RNA)
where:
Base-Base interactions energy: -1778.447
where: short stacking energy: -734.477
Base-Backbone interact. energy: 2.241
local terms energy: -759.796468
where:
bonds (distance) C4'-P energy: -129.500
bonds (distance) P-C4' energy: -125.132
flat angles C4'-P-C4' energy: -165.650
flat angles P-C4'-P energy: -114.267
tors. eta vs tors. theta energy: -225.249
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: 5, replica: 3
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -2462.083541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2462.083541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2472.929641 (E_RNA)
where:
Base-Base interactions energy: -1730.573
where: short stacking energy: -746.770
Base-Backbone interact. energy: 1.447
local terms energy: -743.803385
where:
bonds (distance) C4'-P energy: -126.015
bonds (distance) P-C4' energy: -131.427
flat angles C4'-P-C4' energy: -160.352
flat angles P-C4'-P energy: -114.032
tors. eta vs tors. theta energy: -211.978
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: 6, replica: 4
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -2317.263451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2317.263451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2334.903391 (E_RNA)
where:
Base-Base interactions energy: -1655.398
where: short stacking energy: -708.456
Base-Backbone interact. energy: -3.380
local terms energy: -676.125827
where:
bonds (distance) C4'-P energy: -124.202
bonds (distance) P-C4' energy: -121.681
flat angles C4'-P-C4' energy: -149.194
flat angles P-C4'-P energy: -83.871
tors. eta vs tors. theta energy: -197.177
Dist. restrs. and SS energy: 17.640 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -2306.636292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2306.636292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2320.139804 (E_RNA)
where:
Base-Base interactions energy: -1642.902
where: short stacking energy: -675.726
Base-Backbone interact. energy: -2.748
local terms energy: -674.490500
where:
bonds (distance) C4'-P energy: -115.262
bonds (distance) P-C4' energy: -106.930
flat angles C4'-P-C4' energy: -154.700
flat angles P-C4'-P energy: -112.213
tors. eta vs tors. theta energy: -185.385
Dist. restrs. and SS energy: 13.504 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -2164.263698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2164.263698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2178.319009 (E_RNA)
where:
Base-Base interactions energy: -1537.561
where: short stacking energy: -620.639
Base-Backbone interact. energy: -3.313
local terms energy: -637.445233
where:
bonds (distance) C4'-P energy: -122.356
bonds (distance) P-C4' energy: -126.464
flat angles C4'-P-C4' energy: -128.734
flat angles P-C4'-P energy: -77.466
tors. eta vs tors. theta energy: -182.426
Dist. restrs. and SS energy: 14.055 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -2087.058465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2087.058465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2108.208515 (E_RNA)
where:
Base-Base interactions energy: -1485.415
where: short stacking energy: -611.712
Base-Backbone interact. energy: -2.123
local terms energy: -620.670989
where:
bonds (distance) C4'-P energy: -119.492
bonds (distance) P-C4' energy: -105.133
flat angles C4'-P-C4' energy: -141.334
flat angles P-C4'-P energy: -81.264
tors. eta vs tors. theta energy: -173.448
Dist. restrs. and SS energy: 21.150 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -2046.820508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2046.820508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.105539 (E_RNA)
where:
Base-Base interactions energy: -1460.706
where: short stacking energy: -614.915
Base-Backbone interact. energy: 1.162
local terms energy: -611.561689
where:
bonds (distance) C4'-P energy: -99.250
bonds (distance) P-C4' energy: -120.262
flat angles C4'-P-C4' energy: -128.986
flat angles P-C4'-P energy: -93.783
tors. eta vs tors. theta energy: -169.281
Dist. restrs. and SS energy: 24.285 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -2831.794773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2831.794773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2835.497542 (E_RNA)
where:
Base-Base interactions energy: -1977.412
where: short stacking energy: -832.528
Base-Backbone interact. energy: -3.702
local terms energy: -854.382877
where:
bonds (distance) C4'-P energy: -139.385
bonds (distance) P-C4' energy: -178.384
flat angles C4'-P-C4' energy: -165.785
flat angles P-C4'-P energy: -119.491
tors. eta vs tors. theta energy: -251.338
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: 2, replica: 5
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -2693.246257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2693.246257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2695.783818 (E_RNA)
where:
Base-Base interactions energy: -1856.489
where: short stacking energy: -812.655
Base-Backbone interact. energy: -1.280
local terms energy: -838.014091
where:
bonds (distance) C4'-P energy: -154.479
bonds (distance) P-C4' energy: -150.911
flat angles C4'-P-C4' energy: -173.142
flat angles P-C4'-P energy: -114.254
tors. eta vs tors. theta energy: -245.228
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: 3, replica: 10
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -2644.719651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2644.719651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2653.663211 (E_RNA)
where:
Base-Base interactions energy: -1854.507
where: short stacking energy: -788.663
Base-Backbone interact. energy: -0.123
local terms energy: -799.032842
where:
bonds (distance) C4'-P energy: -122.301
bonds (distance) P-C4' energy: -142.833
flat angles C4'-P-C4' energy: -167.718
flat angles P-C4'-P energy: -127.264
tors. eta vs tors. theta energy: -238.917
Dist. restrs. and SS energy: 8.944 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -2520.449437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2520.449437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2526.744354 (E_RNA)
where:
Base-Base interactions energy: -1772.807
where: short stacking energy: -758.998
Base-Backbone interact. energy: -2.423
local terms energy: -751.514536
where:
bonds (distance) C4'-P energy: -118.387
bonds (distance) P-C4' energy: -150.101
flat angles C4'-P-C4' energy: -171.884
flat angles P-C4'-P energy: -93.358
tors. eta vs tors. theta energy: -217.785
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: 5, replica: 3
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -2408.689620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2408.689620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2416.987292 (E_RNA)
where:
Base-Base interactions energy: -1690.803
where: short stacking energy: -719.314
Base-Backbone interact. energy: 0.252
local terms energy: -726.436466
where:
bonds (distance) C4'-P energy: -124.064
bonds (distance) P-C4' energy: -138.752
flat angles C4'-P-C4' energy: -152.127
flat angles P-C4'-P energy: -106.360
tors. eta vs tors. theta energy: -205.134
Dist. restrs. and SS energy: 8.298 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -2298.466889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2298.466889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2309.419446 (E_RNA)
where:
Base-Base interactions energy: -1597.751
where: short stacking energy: -669.183
Base-Backbone interact. energy: -4.010
local terms energy: -707.658106
where:
bonds (distance) C4'-P energy: -136.267
bonds (distance) P-C4' energy: -123.508
flat angles C4'-P-C4' energy: -151.705
flat angles P-C4'-P energy: -92.157
tors. eta vs tors. theta energy: -204.021
Dist. restrs. and SS energy: 10.953 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -2303.920341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2303.920341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2311.105171 (E_RNA)
where:
Base-Base interactions energy: -1630.207
where: short stacking energy: -673.046
Base-Backbone interact. energy: -2.702
local terms energy: -678.196710
where:
bonds (distance) C4'-P energy: -122.837
bonds (distance) P-C4' energy: -120.420
flat angles C4'-P-C4' energy: -139.606
flat angles P-C4'-P energy: -103.714
tors. eta vs tors. theta energy: -191.620
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: 8, replica: 1
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -2138.467830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2138.467830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2155.075582 (E_RNA)
where:
Base-Base interactions energy: -1504.568
where: short stacking energy: -629.179
Base-Backbone interact. energy: -1.344
local terms energy: -649.164321
where:
bonds (distance) C4'-P energy: -111.414
bonds (distance) P-C4' energy: -139.224
flat angles C4'-P-C4' energy: -126.858
flat angles P-C4'-P energy: -86.877
tors. eta vs tors. theta energy: -184.792
Dist. restrs. and SS energy: 16.608 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -2116.642741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2116.642741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2140.635603 (E_RNA)
where:
Base-Base interactions energy: -1473.007
where: short stacking energy: -622.580
Base-Backbone interact. energy: -3.989
local terms energy: -663.639942
where:
bonds (distance) C4'-P energy: -115.928
bonds (distance) P-C4' energy: -128.311
flat angles C4'-P-C4' energy: -134.177
flat angles P-C4'-P energy: -97.267
tors. eta vs tors. theta energy: -187.957
Dist. restrs. and SS energy: 23.993 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -2010.759788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2010.759788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2037.167160 (E_RNA)
where:
Base-Base interactions energy: -1410.720
where: short stacking energy: -602.299
Base-Backbone interact. energy: 2.225
local terms energy: -628.672640
where:
bonds (distance) C4'-P energy: -105.085
bonds (distance) P-C4' energy: -126.947
flat angles C4'-P-C4' energy: -149.744
flat angles P-C4'-P energy: -71.875
tors. eta vs tors. theta energy: -175.021
Dist. restrs. and SS energy: 26.407 (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: 2
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -2840.285280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2840.285280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2842.803917 (E_RNA)
where:
Base-Base interactions energy: -2014.176
where: short stacking energy: -855.486
Base-Backbone interact. energy: -3.201
local terms energy: -825.426559
where:
bonds (distance) C4'-P energy: -133.936
bonds (distance) P-C4' energy: -148.455
flat angles C4'-P-C4' energy: -172.249
flat angles P-C4'-P energy: -121.968
tors. eta vs tors. theta energy: -248.819
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: 2, replica: 5
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -2667.877235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2667.877235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2671.830613 (E_RNA)
where:
Base-Base interactions energy: -1863.200
where: short stacking energy: -783.639
Base-Backbone interact. energy: -2.290
local terms energy: -806.340121
where:
bonds (distance) C4'-P energy: -135.369
bonds (distance) P-C4' energy: -156.163
flat angles C4'-P-C4' energy: -160.858
flat angles P-C4'-P energy: -120.190
tors. eta vs tors. theta energy: -233.761
Dist. restrs. and SS energy: 3.953 (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: 10
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -2626.142466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2626.142466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2633.651126 (E_RNA)
where:
Base-Base interactions energy: -1833.004
where: short stacking energy: -742.789
Base-Backbone interact. energy: -5.041
local terms energy: -795.605929
where:
bonds (distance) C4'-P energy: -141.550
bonds (distance) P-C4' energy: -150.547
flat angles C4'-P-C4' energy: -164.268
flat angles P-C4'-P energy: -106.775
tors. eta vs tors. theta energy: -232.466
Dist. restrs. and SS energy: 7.509 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -2529.816692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2529.816692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2534.598441 (E_RNA)
where:
Base-Base interactions energy: -1796.368
where: short stacking energy: -727.584
Base-Backbone interact. energy: -3.108
local terms energy: -735.122748
where:
bonds (distance) C4'-P energy: -132.557
bonds (distance) P-C4' energy: -132.407
flat angles C4'-P-C4' energy: -146.298
flat angles P-C4'-P energy: -107.966
tors. eta vs tors. theta energy: -215.895
Dist. restrs. and SS energy: 4.782 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -2395.603091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2395.603091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2402.532181 (E_RNA)
where:
Base-Base interactions energy: -1679.797
where: short stacking energy: -713.841
Base-Backbone interact. energy: -3.692
local terms energy: -719.043148
where:
bonds (distance) C4'-P energy: -125.610
bonds (distance) P-C4' energy: -137.989
flat angles C4'-P-C4' energy: -149.904
flat angles P-C4'-P energy: -99.471
tors. eta vs tors. theta energy: -206.070
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: 4
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -2357.818136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2357.818136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2368.514598 (E_RNA)
where:
Base-Base interactions energy: -1640.998
where: short stacking energy: -710.742
Base-Backbone interact. energy: -2.329
local terms energy: -725.187522
where:
bonds (distance) C4'-P energy: -129.037
bonds (distance) P-C4' energy: -114.714
flat angles C4'-P-C4' energy: -165.563
flat angles P-C4'-P energy: -98.987
tors. eta vs tors. theta energy: -216.886
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: 7, replica: 1
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -2270.031355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2270.031355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2278.439777 (E_RNA)
where:
Base-Base interactions energy: -1626.525
where: short stacking energy: -684.883
Base-Backbone interact. energy: 0.709
local terms energy: -652.623724
where:
bonds (distance) C4'-P energy: -114.462
bonds (distance) P-C4' energy: -121.293
flat angles C4'-P-C4' energy: -142.692
flat angles P-C4'-P energy: -80.718
tors. eta vs tors. theta energy: -193.459
Dist. restrs. and SS energy: 8.408 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -2248.908547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2248.908547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2256.130842 (E_RNA)
where:
Base-Base interactions energy: -1596.981
where: short stacking energy: -670.998
Base-Backbone interact. energy: -1.350
local terms energy: -657.800320
where:
bonds (distance) C4'-P energy: -120.483
bonds (distance) P-C4' energy: -106.229
flat angles C4'-P-C4' energy: -151.840
flat angles P-C4'-P energy: -84.395
tors. eta vs tors. theta energy: -194.853
Dist. restrs. and SS energy: 7.222 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -2108.392431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2108.392431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2120.433511 (E_RNA)
where:
Base-Base interactions energy: -1522.885
where: short stacking energy: -654.812
Base-Backbone interact. energy: 3.974
local terms energy: -601.522626
where:
bonds (distance) C4'-P energy: -111.932
bonds (distance) P-C4' energy: -92.235
flat angles C4'-P-C4' energy: -144.451
flat angles P-C4'-P energy: -69.993
tors. eta vs tors. theta energy: -182.911
Dist. restrs. and SS energy: 12.041 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -1934.679000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1934.679000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1950.952345 (E_RNA)
where:
Base-Base interactions energy: -1364.090
where: short stacking energy: -559.675
Base-Backbone interact. energy: -3.037
local terms energy: -583.826125
where:
bonds (distance) C4'-P energy: -105.493
bonds (distance) P-C4' energy: -113.489
flat angles C4'-P-C4' energy: -129.967
flat angles P-C4'-P energy: -75.620
tors. eta vs tors. theta energy: -159.256
Dist. restrs. and SS energy: 16.273 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -2843.617423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2843.617423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2847.941722 (E_RNA)
where:
Base-Base interactions energy: -2003.027
where: short stacking energy: -851.311
Base-Backbone interact. energy: 3.352
local terms energy: -848.266608
where:
bonds (distance) C4'-P energy: -153.419
bonds (distance) P-C4' energy: -145.128
flat angles C4'-P-C4' energy: -172.627
flat angles P-C4'-P energy: -124.905
tors. eta vs tors. theta energy: -252.188
Dist. restrs. and SS energy: 4.324 (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: 5
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -2686.540540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2686.540540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2689.588987 (E_RNA)
where:
Base-Base interactions energy: -1857.407
where: short stacking energy: -812.705
Base-Backbone interact. energy: -5.704
local terms energy: -826.478197
where:
bonds (distance) C4'-P energy: -147.956
bonds (distance) P-C4' energy: -138.792
flat angles C4'-P-C4' energy: -175.800
flat angles P-C4'-P energy: -115.954
tors. eta vs tors. theta energy: -247.977
Dist. restrs. and SS energy: 3.048 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -2642.871401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2642.871401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2649.634783 (E_RNA)
where:
Base-Base interactions energy: -1850.750
where: short stacking energy: -785.312
Base-Backbone interact. energy: -2.024
local terms energy: -796.860062
where:
bonds (distance) C4'-P energy: -147.542
bonds (distance) P-C4' energy: -147.049
flat angles C4'-P-C4' energy: -164.316
flat angles P-C4'-P energy: -101.717
tors. eta vs tors. theta energy: -236.237
Dist. restrs. and SS energy: 6.763 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -2569.157363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2569.157363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2572.578753 (E_RNA)
where:
Base-Base interactions energy: -1792.042
where: short stacking energy: -741.978
Base-Backbone interact. energy: -2.152
local terms energy: -778.383884
where:
bonds (distance) C4'-P energy: -135.117
bonds (distance) P-C4' energy: -139.097
flat angles C4'-P-C4' energy: -181.256
flat angles P-C4'-P energy: -103.472
tors. eta vs tors. theta energy: -219.443
Dist. restrs. and SS energy: 3.421 (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: 3
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -2421.771216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2421.771216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2430.751626 (E_RNA)
where:
Base-Base interactions energy: -1706.398
where: short stacking energy: -724.309
Base-Backbone interact. energy: 1.478
local terms energy: -725.832366
where:
bonds (distance) C4'-P energy: -118.753
bonds (distance) P-C4' energy: -123.259
flat angles C4'-P-C4' energy: -161.059
flat angles P-C4'-P energy: -113.890
tors. eta vs tors. theta energy: -208.871
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: 6, replica: 1
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -2314.929067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2314.929067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2324.557098 (E_RNA)
where:
Base-Base interactions energy: -1609.744
where: short stacking energy: -681.283
Base-Backbone interact. energy: -0.899
local terms energy: -713.913640
where:
bonds (distance) C4'-P energy: -127.894
bonds (distance) P-C4' energy: -134.981
flat angles C4'-P-C4' energy: -155.975
flat angles P-C4'-P energy: -109.310
tors. eta vs tors. theta energy: -185.754
Dist. restrs. and SS energy: 9.628 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -2268.006807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2268.006807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2287.693718 (E_RNA)
where:
Base-Base interactions energy: -1584.128
where: short stacking energy: -672.111
Base-Backbone interact. energy: -1.948
local terms energy: -701.618256
where:
bonds (distance) C4'-P energy: -132.374
bonds (distance) P-C4' energy: -137.423
flat angles C4'-P-C4' energy: -149.617
flat angles P-C4'-P energy: -96.789
tors. eta vs tors. theta energy: -185.415
Dist. restrs. and SS energy: 19.687 (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: 7
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -2299.934380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2299.934380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2309.085993 (E_RNA)
where:
Base-Base interactions energy: -1628.612
where: short stacking energy: -665.769
Base-Backbone interact. energy: -2.439
local terms energy: -678.034908
where:
bonds (distance) C4'-P energy: -125.632
bonds (distance) P-C4' energy: -115.742
flat angles C4'-P-C4' energy: -150.832
flat angles P-C4'-P energy: -85.351
tors. eta vs tors. theta energy: -200.479
Dist. restrs. and SS energy: 9.152 (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: 6
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -2044.071448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2044.071448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2061.509075 (E_RNA)
where:
Base-Base interactions energy: -1455.494
where: short stacking energy: -591.544
Base-Backbone interact. energy: -1.214
local terms energy: -604.801054
where:
bonds (distance) C4'-P energy: -108.071
bonds (distance) P-C4' energy: -121.930
flat angles C4'-P-C4' energy: -114.828
flat angles P-C4'-P energy: -91.070
tors. eta vs tors. theta energy: -168.902
Dist. restrs. and SS energy: 17.438 (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: 9
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -1922.874349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.874349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.223851 (E_RNA)
where:
Base-Base interactions energy: -1367.323
where: short stacking energy: -549.014
Base-Backbone interact. energy: -2.861
local terms energy: -567.039411
where:
bonds (distance) C4'-P energy: -93.104
bonds (distance) P-C4' energy: -126.836
flat angles C4'-P-C4' energy: -125.776
flat angles P-C4'-P energy: -78.265
tors. eta vs tors. theta energy: -143.058
Dist. restrs. and SS energy: 14.350 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -2842.363114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2842.363114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2845.752777 (E_RNA)
where:
Base-Base interactions energy: -1990.949
where: short stacking energy: -819.707
Base-Backbone interact. energy: 1.875
local terms energy: -856.678559
where:
bonds (distance) C4'-P energy: -148.607
bonds (distance) P-C4' energy: -153.330
flat angles C4'-P-C4' energy: -178.301
flat angles P-C4'-P energy: -125.225
tors. eta vs tors. theta energy: -251.215
Dist. restrs. and SS energy: 3.390 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -2664.832058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2664.832058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2670.460609 (E_RNA)
where:
Base-Base interactions energy: -1871.547
where: short stacking energy: -802.086
Base-Backbone interact. energy: -0.741
local terms energy: -798.172998
where:
bonds (distance) C4'-P energy: -132.528
bonds (distance) P-C4' energy: -150.004
flat angles C4'-P-C4' energy: -172.739
flat angles P-C4'-P energy: -107.979
tors. eta vs tors. theta energy: -234.923
Dist. restrs. and SS energy: 5.629 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -2659.402429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2659.402429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2668.494045 (E_RNA)
where:
Base-Base interactions energy: -1894.052
where: short stacking energy: -806.090
Base-Backbone interact. energy: 0.372
local terms energy: -774.814269
where:
bonds (distance) C4'-P energy: -131.617
bonds (distance) P-C4' energy: -142.861
flat angles C4'-P-C4' energy: -160.833
flat angles P-C4'-P energy: -103.000
tors. eta vs tors. theta energy: -236.504
Dist. restrs. and SS energy: 9.092 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -2530.128796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2530.128796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2534.518210 (E_RNA)
where:
Base-Base interactions energy: -1765.074
where: short stacking energy: -730.948
Base-Backbone interact. energy: -1.682
local terms energy: -767.762668
where:
bonds (distance) C4'-P energy: -137.298
bonds (distance) P-C4' energy: -137.435
flat angles C4'-P-C4' energy: -163.727
flat angles P-C4'-P energy: -109.010
tors. eta vs tors. theta energy: -220.293
Dist. restrs. and SS energy: 4.389 (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: 3
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -2388.685342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2388.685342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2395.679729 (E_RNA)
where:
Base-Base interactions energy: -1667.547
where: short stacking energy: -715.779
Base-Backbone interact. energy: -1.697
local terms energy: -726.435159
where:
bonds (distance) C4'-P energy: -131.076
bonds (distance) P-C4' energy: -126.291
flat angles C4'-P-C4' energy: -158.522
flat angles P-C4'-P energy: -110.649
tors. eta vs tors. theta energy: -199.897
Dist. restrs. and SS energy: 6.994 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -2293.979579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2293.979579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2303.119719 (E_RNA)
where:
Base-Base interactions energy: -1629.519
where: short stacking energy: -680.924
Base-Backbone interact. energy: -3.151
local terms energy: -670.449585
where:
bonds (distance) C4'-P energy: -115.921
bonds (distance) P-C4' energy: -132.591
flat angles C4'-P-C4' energy: -137.493
flat angles P-C4'-P energy: -99.802
tors. eta vs tors. theta energy: -184.643
Dist. restrs. and SS energy: 9.140 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -2267.236073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2267.236073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2281.867990 (E_RNA)
where:
Base-Base interactions energy: -1596.925
where: short stacking energy: -637.972
Base-Backbone interact. energy: -1.019
local terms energy: -683.923310
where:
bonds (distance) C4'-P energy: -121.780
bonds (distance) P-C4' energy: -115.603
flat angles C4'-P-C4' energy: -151.359
flat angles P-C4'-P energy: -105.167
tors. eta vs tors. theta energy: -190.015
Dist. restrs. and SS energy: 14.632 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -2225.757936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2225.757936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2234.361404 (E_RNA)
where:
Base-Base interactions energy: -1585.165
where: short stacking energy: -655.357
Base-Backbone interact. energy: -5.682
local terms energy: -643.514473
where:
bonds (distance) C4'-P energy: -117.381
bonds (distance) P-C4' energy: -103.973
flat angles C4'-P-C4' energy: -137.314
flat angles P-C4'-P energy: -91.301
tors. eta vs tors. theta energy: -193.546
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: 9, replica: 6
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -2070.470417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2070.470417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2085.197954 (E_RNA)
where:
Base-Base interactions energy: -1490.195
where: short stacking energy: -588.367
Base-Backbone interact. energy: -0.151
local terms energy: -594.852035
where:
bonds (distance) C4'-P energy: -124.560
bonds (distance) P-C4' energy: -114.419
flat angles C4'-P-C4' energy: -113.690
flat angles P-C4'-P energy: -89.685
tors. eta vs tors. theta energy: -152.498
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: 10, replica: 9
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -1900.799266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1900.799266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.370700 (E_RNA)
where:
Base-Base interactions energy: -1373.036
where: short stacking energy: -543.548
Base-Backbone interact. energy: -2.605
local terms energy: -546.730040
where:
bonds (distance) C4'-P energy: -102.524
bonds (distance) P-C4' energy: -112.444
flat angles C4'-P-C4' energy: -117.331
flat angles P-C4'-P energy: -73.968
tors. eta vs tors. theta energy: -140.462
Dist. restrs. and SS energy: 21.571 (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: 2
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -2840.186064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2840.186064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2843.637892 (E_RNA)
where:
Base-Base interactions energy: -2008.375
where: short stacking energy: -817.689
Base-Backbone interact. energy: -2.036
local terms energy: -833.226841
where:
bonds (distance) C4'-P energy: -125.309
bonds (distance) P-C4' energy: -162.756
flat angles C4'-P-C4' energy: -175.757
flat angles P-C4'-P energy: -109.718
tors. eta vs tors. theta energy: -259.686
Dist. restrs. and SS energy: 3.452 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -2661.224340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2661.224340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2664.467116 (E_RNA)
where:
Base-Base interactions energy: -1864.011
where: short stacking energy: -793.949
Base-Backbone interact. energy: -3.899
local terms energy: -796.557424
where:
bonds (distance) C4'-P energy: -123.852
bonds (distance) P-C4' energy: -131.263
flat angles C4'-P-C4' energy: -177.382
flat angles P-C4'-P energy: -126.129
tors. eta vs tors. theta energy: -237.932
Dist. restrs. and SS energy: 3.243 (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: 10
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -2605.327490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2605.327490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2613.862994 (E_RNA)
where:
Base-Base interactions energy: -1841.751
where: short stacking energy: -767.148
Base-Backbone interact. energy: -1.164
local terms energy: -770.948520
where:
bonds (distance) C4'-P energy: -121.177
bonds (distance) P-C4' energy: -139.647
flat angles C4'-P-C4' energy: -162.020
flat angles P-C4'-P energy: -114.657
tors. eta vs tors. theta energy: -233.447
Dist. restrs. and SS energy: 8.536 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -2546.982666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2546.982666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2551.177613 (E_RNA)
where:
Base-Base interactions energy: -1801.473
where: short stacking energy: -752.835
Base-Backbone interact. energy: -4.663
local terms energy: -745.041890
where:
bonds (distance) C4'-P energy: -135.530
bonds (distance) P-C4' energy: -119.012
flat angles C4'-P-C4' energy: -155.430
flat angles P-C4'-P energy: -104.252
tors. eta vs tors. theta energy: -230.819
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: 5, replica: 3
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -2398.123256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2398.123256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2405.054657 (E_RNA)
where:
Base-Base interactions energy: -1675.163
where: short stacking energy: -694.063
Base-Backbone interact. energy: -0.901
local terms energy: -728.991030
where:
bonds (distance) C4'-P energy: -128.768
bonds (distance) P-C4' energy: -128.460
flat angles C4'-P-C4' energy: -146.820
flat angles P-C4'-P energy: -114.369
tors. eta vs tors. theta energy: -210.575
Dist. restrs. and SS energy: 6.931 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -2314.377424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2314.377424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2325.061448 (E_RNA)
where:
Base-Base interactions energy: -1645.736
where: short stacking energy: -698.318
Base-Backbone interact. energy: -3.426
local terms energy: -675.899599
where:
bonds (distance) C4'-P energy: -109.743
bonds (distance) P-C4' energy: -105.181
flat angles C4'-P-C4' energy: -157.072
flat angles P-C4'-P energy: -108.380
tors. eta vs tors. theta energy: -195.523
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: 343
Temperature: 1.200000
Total energy: -2280.725084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2280.725084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2289.548928 (E_RNA)
where:
Base-Base interactions energy: -1618.672
where: short stacking energy: -658.222
Base-Backbone interact. energy: -0.438
local terms energy: -670.438651
where:
bonds (distance) C4'-P energy: -128.136
bonds (distance) P-C4' energy: -108.694
flat angles C4'-P-C4' energy: -153.240
flat angles P-C4'-P energy: -79.650
tors. eta vs tors. theta energy: -200.718
Dist. restrs. and SS energy: 8.824 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -2205.590716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2205.590716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2214.474096 (E_RNA)
where:
Base-Base interactions energy: -1566.271
where: short stacking energy: -662.589
Base-Backbone interact. energy: -0.701
local terms energy: -647.502156
where:
bonds (distance) C4'-P energy: -115.985
bonds (distance) P-C4' energy: -117.695
flat angles C4'-P-C4' energy: -142.417
flat angles P-C4'-P energy: -81.570
tors. eta vs tors. theta energy: -189.834
Dist. restrs. and SS energy: 8.883 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -2023.388433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2023.388433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2041.447169 (E_RNA)
where:
Base-Base interactions energy: -1473.397
where: short stacking energy: -622.370
Base-Backbone interact. energy: -2.804
local terms energy: -565.246652
where:
bonds (distance) C4'-P energy: -105.502
bonds (distance) P-C4' energy: -92.404
flat angles C4'-P-C4' energy: -127.420
flat angles P-C4'-P energy: -65.502
tors. eta vs tors. theta energy: -174.418
Dist. restrs. and SS energy: 18.059 (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: 9
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -2031.265891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2031.265891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2047.683924 (E_RNA)
where:
Base-Base interactions energy: -1393.978
where: short stacking energy: -551.627
Base-Backbone interact. energy: -1.862
local terms energy: -651.843133
where:
bonds (distance) C4'-P energy: -120.279
bonds (distance) P-C4' energy: -130.768
flat angles C4'-P-C4' energy: -137.188
flat angles P-C4'-P energy: -96.832
tors. eta vs tors. theta energy: -166.776
Dist. restrs. and SS energy: 16.418 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -2839.406527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2839.406527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2844.024437 (E_RNA)
where:
Base-Base interactions energy: -2009.011
where: short stacking energy: -822.906
Base-Backbone interact. energy: -2.728
local terms energy: -832.285711
where:
bonds (distance) C4'-P energy: -140.139
bonds (distance) P-C4' energy: -133.066
flat angles C4'-P-C4' energy: -174.446
flat angles P-C4'-P energy: -132.844
tors. eta vs tors. theta energy: -251.790
Dist. restrs. and SS energy: 4.618 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -2660.379068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2660.379068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2663.925204 (E_RNA)
where:
Base-Base interactions energy: -1839.423
where: short stacking energy: -806.639
Base-Backbone interact. energy: -1.710
local terms energy: -822.791348
where:
bonds (distance) C4'-P energy: -147.362
bonds (distance) P-C4' energy: -146.987
flat angles C4'-P-C4' energy: -166.287
flat angles P-C4'-P energy: -114.435
tors. eta vs tors. theta energy: -247.721
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: 3, replica: 10
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -2642.194358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2642.194358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2648.338948 (E_RNA)
where:
Base-Base interactions energy: -1832.475
where: short stacking energy: -788.246
Base-Backbone interact. energy: -2.069
local terms energy: -813.795646
where:
bonds (distance) C4'-P energy: -146.986
bonds (distance) P-C4' energy: -152.636
flat angles C4'-P-C4' energy: -165.733
flat angles P-C4'-P energy: -118.390
tors. eta vs tors. theta energy: -230.050
Dist. restrs. and SS energy: 6.145 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -2565.449420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2565.449420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2571.015435 (E_RNA)
where:
Base-Base interactions energy: -1811.560
where: short stacking energy: -763.439
Base-Backbone interact. energy: -2.554
local terms energy: -756.901348
where:
bonds (distance) C4'-P energy: -129.278
bonds (distance) P-C4' energy: -129.759
flat angles C4'-P-C4' energy: -164.402
flat angles P-C4'-P energy: -108.732
tors. eta vs tors. theta energy: -224.730
Dist. restrs. and SS energy: 5.566 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -2457.468971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2457.468971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2461.916956 (E_RNA)
where:
Base-Base interactions energy: -1720.764
where: short stacking energy: -712.743
Base-Backbone interact. energy: -4.300
local terms energy: -736.852483
where:
bonds (distance) C4'-P energy: -119.104
bonds (distance) P-C4' energy: -142.157
flat angles C4'-P-C4' energy: -150.660
flat angles P-C4'-P energy: -111.241
tors. eta vs tors. theta energy: -213.690
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: 6, replica: 4
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -2315.334066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2315.334066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2325.822142 (E_RNA)
where:
Base-Base interactions energy: -1607.828
where: short stacking energy: -708.417
Base-Backbone interact. energy: -6.576
local terms energy: -711.417690
where:
bonds (distance) C4'-P energy: -125.073
bonds (distance) P-C4' energy: -121.698
flat angles C4'-P-C4' energy: -157.615
flat angles P-C4'-P energy: -92.343
tors. eta vs tors. theta energy: -214.688
Dist. restrs. and SS energy: 10.488 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -2238.261116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2238.261116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2250.473870 (E_RNA)
where:
Base-Base interactions energy: -1581.535
where: short stacking energy: -684.383
Base-Backbone interact. energy: -2.552
local terms energy: -666.386486
where:
bonds (distance) C4'-P energy: -129.346
bonds (distance) P-C4' energy: -125.920
flat angles C4'-P-C4' energy: -137.533
flat angles P-C4'-P energy: -85.757
tors. eta vs tors. theta energy: -187.830
Dist. restrs. and SS energy: 12.213 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -2235.125643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2235.125643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2244.150249 (E_RNA)
where:
Base-Base interactions energy: -1575.922
where: short stacking energy: -645.022
Base-Backbone interact. energy: -0.501
local terms energy: -667.727493
where:
bonds (distance) C4'-P energy: -101.746
bonds (distance) P-C4' energy: -136.054
flat angles C4'-P-C4' energy: -146.829
flat angles P-C4'-P energy: -87.593
tors. eta vs tors. theta energy: -195.505
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: 9
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -2074.167282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2074.167282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2085.004701 (E_RNA)
where:
Base-Base interactions energy: -1499.205
where: short stacking energy: -603.245
Base-Backbone interact. energy: 0.935
local terms energy: -586.734628
where:
bonds (distance) C4'-P energy: -117.200
bonds (distance) P-C4' energy: -100.447
flat angles C4'-P-C4' energy: -130.202
flat angles P-C4'-P energy: -71.241
tors. eta vs tors. theta energy: -167.645
Dist. restrs. and SS energy: 10.837 (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: 6
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -1980.529250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1980.529250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.069940 (E_RNA)
where:
Base-Base interactions energy: -1402.522
where: short stacking energy: -596.092
Base-Backbone interact. energy: -2.000
local terms energy: -591.548240
where:
bonds (distance) C4'-P energy: -112.421
bonds (distance) P-C4' energy: -104.790
flat angles C4'-P-C4' energy: -131.069
flat angles P-C4'-P energy: -78.574
tors. eta vs tors. theta energy: -164.695
Dist. restrs. and SS energy: 15.541 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -2864.533959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2864.533959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2870.185565 (E_RNA)
where:
Base-Base interactions energy: -2013.181
where: short stacking energy: -845.525
Base-Backbone interact. energy: -4.491
local terms energy: -852.514032
where:
bonds (distance) C4'-P energy: -146.945
bonds (distance) P-C4' energy: -147.967
flat angles C4'-P-C4' energy: -178.281
flat angles P-C4'-P energy: -114.340
tors. eta vs tors. theta energy: -264.981
Dist. restrs. and SS energy: 5.652 (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: 5
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -2667.409684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2667.409684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2670.560020 (E_RNA)
where:
Base-Base interactions energy: -1867.417
where: short stacking energy: -802.553
Base-Backbone interact. energy: -4.722
local terms energy: -798.421540
where:
bonds (distance) C4'-P energy: -138.161
bonds (distance) P-C4' energy: -124.809
flat angles C4'-P-C4' energy: -171.002
flat angles P-C4'-P energy: -125.456
tors. eta vs tors. theta energy: -238.993
Dist. restrs. and SS energy: 3.150 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -2621.402621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2621.402621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2632.409164 (E_RNA)
where:
Base-Base interactions energy: -1832.440
where: short stacking energy: -772.816
Base-Backbone interact. energy: -1.302
local terms energy: -798.667001
where:
bonds (distance) C4'-P energy: -143.779
bonds (distance) P-C4' energy: -152.738
flat angles C4'-P-C4' energy: -160.505
flat angles P-C4'-P energy: -106.495
tors. eta vs tors. theta energy: -235.150
Dist. restrs. and SS energy: 11.007 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -2538.214652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2538.214652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2542.839082 (E_RNA)
where:
Base-Base interactions energy: -1764.539
where: short stacking energy: -749.711
Base-Backbone interact. energy: 3.018
local terms energy: -781.317773
where:
bonds (distance) C4'-P energy: -123.600
bonds (distance) P-C4' energy: -144.379
flat angles C4'-P-C4' energy: -165.917
flat angles P-C4'-P energy: -122.451
tors. eta vs tors. theta energy: -224.971
Dist. restrs. and SS energy: 4.624 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -2484.195255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2484.195255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2490.918124 (E_RNA)
where:
Base-Base interactions energy: -1721.146
where: short stacking energy: -726.181
Base-Backbone interact. energy: -3.182
local terms energy: -766.590257
where:
bonds (distance) C4'-P energy: -142.545
bonds (distance) P-C4' energy: -153.269
flat angles C4'-P-C4' energy: -141.855
flat angles P-C4'-P energy: -111.449
tors. eta vs tors. theta energy: -217.472
Dist. restrs. and SS energy: 6.723 (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: 4
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -2336.307946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2336.307946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2348.409010 (E_RNA)
where:
Base-Base interactions energy: -1623.203
where: short stacking energy: -686.264
Base-Backbone interact. energy: -2.968
local terms energy: -722.238692
where:
bonds (distance) C4'-P energy: -106.268
bonds (distance) P-C4' energy: -130.569
flat angles C4'-P-C4' energy: -156.198
flat angles P-C4'-P energy: -116.020
tors. eta vs tors. theta energy: -213.183
Dist. restrs. and SS energy: 12.101 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -2246.525862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2246.525862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2255.265912 (E_RNA)
where:
Base-Base interactions energy: -1580.975
where: short stacking energy: -671.308
Base-Backbone interact. energy: -6.252
local terms energy: -668.038950
where:
bonds (distance) C4'-P energy: -120.001
bonds (distance) P-C4' energy: -107.134
flat angles C4'-P-C4' energy: -147.434
flat angles P-C4'-P energy: -98.527
tors. eta vs tors. theta energy: -194.943
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: 8, replica: 7
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -2237.632266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2237.632266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2245.215560 (E_RNA)
where:
Base-Base interactions energy: -1599.248
where: short stacking energy: -651.387
Base-Backbone interact. energy: -0.473
local terms energy: -645.495052
where:
bonds (distance) C4'-P energy: -100.391
bonds (distance) P-C4' energy: -102.110
flat angles C4'-P-C4' energy: -154.575
flat angles P-C4'-P energy: -101.346
tors. eta vs tors. theta energy: -187.074
Dist. restrs. and SS energy: 7.583 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -2070.060593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2070.060593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2082.131594 (E_RNA)
where:
Base-Base interactions energy: -1476.834
where: short stacking energy: -605.975
Base-Backbone interact. energy: -2.833
local terms energy: -602.464798
where:
bonds (distance) C4'-P energy: -109.602
bonds (distance) P-C4' energy: -100.946
flat angles C4'-P-C4' energy: -140.745
flat angles P-C4'-P energy: -76.890
tors. eta vs tors. theta energy: -174.282
Dist. restrs. and SS energy: 12.071 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -1990.259856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1990.259856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2000.996646 (E_RNA)
where:
Base-Base interactions energy: -1414.229
where: short stacking energy: -567.024
Base-Backbone interact. energy: 1.617
local terms energy: -588.385109
where:
bonds (distance) C4'-P energy: -112.025
bonds (distance) P-C4' energy: -110.105
flat angles C4'-P-C4' energy: -123.571
flat angles P-C4'-P energy: -87.201
tors. eta vs tors. theta energy: -155.483
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: 1, replica: 2
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -2829.025522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2829.025522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2831.569936 (E_RNA)
where:
Base-Base interactions energy: -2005.932
where: short stacking energy: -840.980
Base-Backbone interact. energy: -3.086
local terms energy: -822.551296
where:
bonds (distance) C4'-P energy: -143.902
bonds (distance) P-C4' energy: -137.953
flat angles C4'-P-C4' energy: -166.738
flat angles P-C4'-P energy: -118.730
tors. eta vs tors. theta energy: -255.229
Dist. restrs. and SS energy: 2.544 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -2682.619052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2682.619052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2686.693902 (E_RNA)
where:
Base-Base interactions energy: -1875.326
where: short stacking energy: -814.964
Base-Backbone interact. energy: -4.455
local terms energy: -806.912871
where:
bonds (distance) C4'-P energy: -130.306
bonds (distance) P-C4' energy: -147.764
flat angles C4'-P-C4' energy: -163.722
flat angles P-C4'-P energy: -124.479
tors. eta vs tors. theta energy: -240.642
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: 3, replica: 10
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -2613.363448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2613.363448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2621.749492 (E_RNA)
where:
Base-Base interactions energy: -1853.366
where: short stacking energy: -769.224
Base-Backbone interact. energy: -1.908
local terms energy: -766.475021
where:
bonds (distance) C4'-P energy: -125.433
bonds (distance) P-C4' energy: -155.769
flat angles C4'-P-C4' energy: -155.423
flat angles P-C4'-P energy: -103.778
tors. eta vs tors. theta energy: -226.071
Dist. restrs. and SS energy: 8.386 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -2565.400207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2565.400207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2569.081474 (E_RNA)
where:
Base-Base interactions energy: -1802.501
where: short stacking energy: -778.607
Base-Backbone interact. energy: 1.959
local terms energy: -768.538970
where:
bonds (distance) C4'-P energy: -142.453
bonds (distance) P-C4' energy: -119.895
flat angles C4'-P-C4' energy: -161.788
flat angles P-C4'-P energy: -109.745
tors. eta vs tors. theta energy: -234.658
Dist. restrs. and SS energy: 3.681 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -2443.905405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2443.905405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2450.517223 (E_RNA)
where:
Base-Base interactions energy: -1719.645
where: short stacking energy: -747.718
Base-Backbone interact. energy: -0.519
local terms energy: -730.353202
where:
bonds (distance) C4'-P energy: -112.347
bonds (distance) P-C4' energy: -143.059
flat angles C4'-P-C4' energy: -148.655
flat angles P-C4'-P energy: -109.561
tors. eta vs tors. theta energy: -216.731
Dist. restrs. and SS energy: 6.612 (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: 4
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -2343.576069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2343.576069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2358.463759 (E_RNA)
where:
Base-Base interactions energy: -1655.418
where: short stacking energy: -702.758
Base-Backbone interact. energy: -0.369
local terms energy: -702.676697
where:
bonds (distance) C4'-P energy: -111.532
bonds (distance) P-C4' energy: -131.689
flat angles C4'-P-C4' energy: -149.889
flat angles P-C4'-P energy: -100.431
tors. eta vs tors. theta energy: -209.136
Dist. restrs. and SS energy: 14.888 (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: 7
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -2341.041387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2341.041387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2344.311999 (E_RNA)
where:
Base-Base interactions energy: -1663.310
where: short stacking energy: -687.776
Base-Backbone interact. energy: -5.815
local terms energy: -675.187100
where:
bonds (distance) C4'-P energy: -115.736
bonds (distance) P-C4' energy: -117.702
flat angles C4'-P-C4' energy: -151.785
flat angles P-C4'-P energy: -102.618
tors. eta vs tors. theta energy: -187.346
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: 8, replica: 1
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -2192.993357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2192.993357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2207.980310 (E_RNA)
where:
Base-Base interactions energy: -1554.377
where: short stacking energy: -657.496
Base-Backbone interact. energy: -1.778
local terms energy: -651.825114
where:
bonds (distance) C4'-P energy: -120.991
bonds (distance) P-C4' energy: -133.575
flat angles C4'-P-C4' energy: -151.051
flat angles P-C4'-P energy: -65.669
tors. eta vs tors. theta energy: -180.539
Dist. restrs. and SS energy: 14.987 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -2031.013644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2031.013644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2045.343186 (E_RNA)
where:
Base-Base interactions energy: -1431.582
where: short stacking energy: -600.704
Base-Backbone interact. energy: -1.386
local terms energy: -612.375440
where:
bonds (distance) C4'-P energy: -102.062
bonds (distance) P-C4' energy: -126.534
flat angles C4'-P-C4' energy: -132.504
flat angles P-C4'-P energy: -76.444
tors. eta vs tors. theta energy: -174.831
Dist. restrs. and SS energy: 14.330 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -2050.808736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2050.808736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2069.802599 (E_RNA)
where:
Base-Base interactions energy: -1457.631
where: short stacking energy: -603.158
Base-Backbone interact. energy: -5.261
local terms energy: -606.910694
where:
bonds (distance) C4'-P energy: -122.040
bonds (distance) P-C4' energy: -106.663
flat angles C4'-P-C4' energy: -129.031
flat angles P-C4'-P energy: -75.803
tors. eta vs tors. theta energy: -173.374
Dist. restrs. and SS energy: 18.994 (S_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: 347
Temperature: 0.900000
Total energy: -2805.506012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2805.506012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2808.152070 (E_RNA)
where:
Base-Base interactions energy: -1970.057
where: short stacking energy: -835.236
Base-Backbone interact. energy: -1.654
local terms energy: -836.440669
where:
bonds (distance) C4'-P energy: -145.908
bonds (distance) P-C4' energy: -151.100
flat angles C4'-P-C4' energy: -168.232
flat angles P-C4'-P energy: -109.128
tors. eta vs tors. theta energy: -262.073
Dist. restrs. and SS energy: 2.646 (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: 347
Temperature: 0.950000
Total energy: -2660.361469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2660.361469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2667.007951 (E_RNA)
where:
Base-Base interactions energy: -1864.085
where: short stacking energy: -789.226
Base-Backbone interact. energy: -3.273
local terms energy: -799.650237
where:
bonds (distance) C4'-P energy: -146.610
bonds (distance) P-C4' energy: -148.396
flat angles C4'-P-C4' energy: -172.101
flat angles P-C4'-P energy: -93.976
tors. eta vs tors. theta energy: -238.568
Dist. restrs. and SS energy: 6.646 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -2668.499479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2668.499479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2673.154452 (E_RNA)
where:
Base-Base interactions energy: -1850.140
where: short stacking energy: -793.722
Base-Backbone interact. energy: -4.120
local terms energy: -818.893656
where:
bonds (distance) C4'-P energy: -141.577
bonds (distance) P-C4' energy: -139.408
flat angles C4'-P-C4' energy: -175.259
flat angles P-C4'-P energy: -126.245
tors. eta vs tors. theta energy: -236.405
Dist. restrs. and SS energy: 4.655 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -2587.064805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2587.064805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2591.154529 (E_RNA)
where:
Base-Base interactions energy: -1841.388
where: short stacking energy: -762.849
Base-Backbone interact. energy: -2.568
local terms energy: -747.198454
where:
bonds (distance) C4'-P energy: -122.758
bonds (distance) P-C4' energy: -132.275
flat angles C4'-P-C4' energy: -154.860
flat angles P-C4'-P energy: -100.707
tors. eta vs tors. theta energy: -236.598
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: 5, replica: 3
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -2461.051708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2461.051708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2467.681249 (E_RNA)
where:
Base-Base interactions energy: -1696.168
where: short stacking energy: -755.522
Base-Backbone interact. energy: -1.211
local terms energy: -770.302253
where:
bonds (distance) C4'-P energy: -138.063
bonds (distance) P-C4' energy: -139.534
flat angles C4'-P-C4' energy: -152.068
flat angles P-C4'-P energy: -115.378
tors. eta vs tors. theta energy: -225.259
Dist. restrs. and SS energy: 6.630 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -2355.444496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2355.444496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2365.485567 (E_RNA)
where:
Base-Base interactions energy: -1667.609
where: short stacking energy: -707.839
Base-Backbone interact. energy: 1.396
local terms energy: -699.272561
where:
bonds (distance) C4'-P energy: -111.321
bonds (distance) P-C4' energy: -122.321
flat angles C4'-P-C4' energy: -160.513
flat angles P-C4'-P energy: -108.452
tors. eta vs tors. theta energy: -196.665
Dist. restrs. and SS energy: 10.041 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -2303.893983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2303.893983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2311.588491 (E_RNA)
where:
Base-Base interactions energy: -1640.685
where: short stacking energy: -665.610
Base-Backbone interact. energy: -0.988
local terms energy: -669.914744
where:
bonds (distance) C4'-P energy: -126.202
bonds (distance) P-C4' energy: -118.055
flat angles C4'-P-C4' energy: -145.479
flat angles P-C4'-P energy: -84.923
tors. eta vs tors. theta energy: -195.256
Dist. restrs. and SS energy: 7.695 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -2195.715720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2195.715720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2203.584799 (E_RNA)
where:
Base-Base interactions energy: -1577.131
where: short stacking energy: -652.492
Base-Backbone interact. energy: -0.601
local terms energy: -625.853011
where:
bonds (distance) C4'-P energy: -112.897
bonds (distance) P-C4' energy: -106.958
flat angles C4'-P-C4' energy: -125.626
flat angles P-C4'-P energy: -97.654
tors. eta vs tors. theta energy: -182.717
Dist. restrs. and SS energy: 7.869 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -2105.358886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2105.358886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2127.589892 (E_RNA)
where:
Base-Base interactions energy: -1471.504
where: short stacking energy: -634.381
Base-Backbone interact. energy: -2.403
local terms energy: -653.682678
where:
bonds (distance) C4'-P energy: -115.559
bonds (distance) P-C4' energy: -132.842
flat angles C4'-P-C4' energy: -147.176
flat angles P-C4'-P energy: -83.323
tors. eta vs tors. theta energy: -174.783
Dist. restrs. and SS energy: 22.231 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -2035.356657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2035.356657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2043.554667 (E_RNA)
where:
Base-Base interactions energy: -1471.879
where: short stacking energy: -591.632
Base-Backbone interact. energy: -2.301
local terms energy: -569.374149
where:
bonds (distance) C4'-P energy: -106.187
bonds (distance) P-C4' energy: -117.077
flat angles C4'-P-C4' energy: -121.177
flat angles P-C4'-P energy: -64.133
tors. eta vs tors. theta energy: -160.800
Dist. restrs. and SS energy: 8.198 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -2796.315817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2796.315817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2800.228561 (E_RNA)
where:
Base-Base interactions energy: -1956.313
where: short stacking energy: -812.785
Base-Backbone interact. energy: -0.422
local terms energy: -843.494502
where:
bonds (distance) C4'-P energy: -153.519
bonds (distance) P-C4' energy: -148.202
flat angles C4'-P-C4' energy: -172.922
flat angles P-C4'-P energy: -123.652
tors. eta vs tors. theta energy: -245.200
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: 10
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -2640.305342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2640.305342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2645.733423 (E_RNA)
where:
Base-Base interactions energy: -1871.128
where: short stacking energy: -784.964
Base-Backbone interact. energy: -3.207
local terms energy: -771.398027
where:
bonds (distance) C4'-P energy: -136.640
bonds (distance) P-C4' energy: -129.224
flat angles C4'-P-C4' energy: -168.305
flat angles P-C4'-P energy: -101.924
tors. eta vs tors. theta energy: -235.305
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: 3, replica: 5
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -2609.375411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2609.375411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2612.684758 (E_RNA)
where:
Base-Base interactions energy: -1849.330
where: short stacking energy: -791.823
Base-Backbone interact. energy: -0.822
local terms energy: -762.532627
where:
bonds (distance) C4'-P energy: -128.340
bonds (distance) P-C4' energy: -136.366
flat angles C4'-P-C4' energy: -167.098
flat angles P-C4'-P energy: -101.649
tors. eta vs tors. theta energy: -229.080
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: 4, replica: 8
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -2547.203137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2547.203137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2549.699044 (E_RNA)
where:
Base-Base interactions energy: -1789.157
where: short stacking energy: -772.972
Base-Backbone interact. energy: -1.429
local terms energy: -759.113016
where:
bonds (distance) C4'-P energy: -138.807
bonds (distance) P-C4' energy: -132.778
flat angles C4'-P-C4' energy: -166.826
flat angles P-C4'-P energy: -101.576
tors. eta vs tors. theta energy: -219.127
Dist. restrs. and SS energy: 2.496 (S_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: 348
Temperature: 1.100000
Total energy: -2418.668196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2418.668196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2427.998182 (E_RNA)
where:
Base-Base interactions energy: -1735.237
where: short stacking energy: -735.782
Base-Backbone interact. energy: -0.078
local terms energy: -692.682628
where:
bonds (distance) C4'-P energy: -119.055
bonds (distance) P-C4' energy: -128.250
flat angles C4'-P-C4' energy: -140.878
flat angles P-C4'-P energy: -89.424
tors. eta vs tors. theta energy: -215.076
Dist. restrs. and SS energy: 9.330 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -2305.228130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2305.228130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2315.496258 (E_RNA)
where:
Base-Base interactions energy: -1616.632
where: short stacking energy: -693.087
Base-Backbone interact. energy: 0.984
local terms energy: -699.848469
where:
bonds (distance) C4'-P energy: -124.238
bonds (distance) P-C4' energy: -114.818
flat angles C4'-P-C4' energy: -155.690
flat angles P-C4'-P energy: -101.067
tors. eta vs tors. theta energy: -204.036
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: 7, replica: 7
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -2302.436033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2302.436033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2309.120462 (E_RNA)
where:
Base-Base interactions energy: -1641.947
where: short stacking energy: -693.001
Base-Backbone interact. energy: 0.893
local terms energy: -668.066791
where:
bonds (distance) C4'-P energy: -121.106
bonds (distance) P-C4' energy: -123.166
flat angles C4'-P-C4' energy: -140.228
flat angles P-C4'-P energy: -90.124
tors. eta vs tors. theta energy: -193.442
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: 1
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -2207.842781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2207.842781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2218.456832 (E_RNA)
where:
Base-Base interactions energy: -1557.092
where: short stacking energy: -627.800
Base-Backbone interact. energy: 0.676
local terms energy: -662.040842
where:
bonds (distance) C4'-P energy: -119.275
bonds (distance) P-C4' energy: -126.879
flat angles C4'-P-C4' energy: -142.870
flat angles P-C4'-P energy: -91.427
tors. eta vs tors. theta energy: -181.591
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: 9, replica: 9
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -2078.653112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2078.653112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2090.308624 (E_RNA)
where:
Base-Base interactions energy: -1476.532
where: short stacking energy: -609.208
Base-Backbone interact. energy: 0.453
local terms energy: -614.229701
where:
bonds (distance) C4'-P energy: -109.317
bonds (distance) P-C4' energy: -115.631
flat angles C4'-P-C4' energy: -143.395
flat angles P-C4'-P energy: -79.732
tors. eta vs tors. theta energy: -166.154
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: 10, replica: 6
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -2038.633349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2038.633349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2055.788465 (E_RNA)
where:
Base-Base interactions energy: -1462.502
where: short stacking energy: -577.285
Base-Backbone interact. energy: 2.900
local terms energy: -596.185816
where:
bonds (distance) C4'-P energy: -105.502
bonds (distance) P-C4' energy: -112.105
flat angles C4'-P-C4' energy: -129.070
flat angles P-C4'-P energy: -81.840
tors. eta vs tors. theta energy: -167.670
Dist. restrs. and SS energy: 17.155 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -2822.253248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2822.253248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2825.898964 (E_RNA)
where:
Base-Base interactions energy: -1991.691
where: short stacking energy: -834.662
Base-Backbone interact. energy: -1.773
local terms energy: -832.435799
where:
bonds (distance) C4'-P energy: -142.824
bonds (distance) P-C4' energy: -144.967
flat angles C4'-P-C4' energy: -177.496
flat angles P-C4'-P energy: -122.651
tors. eta vs tors. theta energy: -244.499
Dist. restrs. and SS energy: 3.646 (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: 349
Temperature: 0.950000
Total energy: -2668.084729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2668.084729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2674.690460 (E_RNA)
where:
Base-Base interactions energy: -1873.938
where: short stacking energy: -792.078
Base-Backbone interact. energy: -4.188
local terms energy: -796.564760
where:
bonds (distance) C4'-P energy: -139.996
bonds (distance) P-C4' energy: -129.736
flat angles C4'-P-C4' energy: -169.317
flat angles P-C4'-P energy: -129.050
tors. eta vs tors. theta energy: -228.466
Dist. restrs. and SS energy: 6.606 (S_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: 349
Temperature: 1.000000
Total energy: -2596.328253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2596.328253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2599.732225 (E_RNA)
where:
Base-Base interactions energy: -1834.709
where: short stacking energy: -779.757
Base-Backbone interact. energy: -1.887
local terms energy: -763.136902
where:
bonds (distance) C4'-P energy: -138.936
bonds (distance) P-C4' energy: -116.752
flat angles C4'-P-C4' energy: -161.906
flat angles P-C4'-P energy: -120.863
tors. eta vs tors. theta energy: -224.680
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: 4, replica: 8
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -2555.267787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2555.267787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2560.508859 (E_RNA)
where:
Base-Base interactions energy: -1796.233
where: short stacking energy: -756.108
Base-Backbone interact. energy: -3.047
local terms energy: -761.229362
where:
bonds (distance) C4'-P energy: -140.452
bonds (distance) P-C4' energy: -133.503
flat angles C4'-P-C4' energy: -158.412
flat angles P-C4'-P energy: -104.331
tors. eta vs tors. theta energy: -224.533
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: 5, replica: 3
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -2453.542496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2453.542496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2462.022954 (E_RNA)
where:
Base-Base interactions energy: -1712.829
where: short stacking energy: -754.806
Base-Backbone interact. energy: 0.738
local terms energy: -749.931908
where:
bonds (distance) C4'-P energy: -126.063
bonds (distance) P-C4' energy: -135.240
flat angles C4'-P-C4' energy: -159.383
flat angles P-C4'-P energy: -106.424
tors. eta vs tors. theta energy: -222.822
Dist. restrs. and SS energy: 8.480 (S_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: 349
Temperature: 1.150000
Total energy: -2355.880608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2355.880608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2365.549967 (E_RNA)
where:
Base-Base interactions energy: -1647.137
where: short stacking energy: -677.373
Base-Backbone interact. energy: -5.217
local terms energy: -713.195717
where:
bonds (distance) C4'-P energy: -109.430
bonds (distance) P-C4' energy: -139.364
flat angles C4'-P-C4' energy: -155.737
flat angles P-C4'-P energy: -99.046
tors. eta vs tors. theta energy: -209.618
Dist. restrs. and SS energy: 9.669 (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: 4
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -2261.332443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2261.332443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2276.628507 (E_RNA)
where:
Base-Base interactions energy: -1603.892
where: short stacking energy: -680.495
Base-Backbone interact. energy: 1.405
local terms energy: -674.142094
where:
bonds (distance) C4'-P energy: -119.367
bonds (distance) P-C4' energy: -125.295
flat angles C4'-P-C4' energy: -154.176
flat angles P-C4'-P energy: -79.526
tors. eta vs tors. theta energy: -195.778
Dist. restrs. and SS energy: 15.296 (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: 1
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -2196.164307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2196.164307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2206.327594 (E_RNA)
where:
Base-Base interactions energy: -1545.724
where: short stacking energy: -640.621
Base-Backbone interact. energy: -4.262
local terms energy: -656.341464
where:
bonds (distance) C4'-P energy: -112.130
bonds (distance) P-C4' energy: -121.913
flat angles C4'-P-C4' energy: -136.889
flat angles P-C4'-P energy: -97.448
tors. eta vs tors. theta energy: -187.962
Dist. restrs. and SS energy: 10.163 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -2126.374836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2126.374836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2135.915114 (E_RNA)
where:
Base-Base interactions energy: -1523.157
where: short stacking energy: -629.614
Base-Backbone interact. energy: -1.941
local terms energy: -610.816886
where:
bonds (distance) C4'-P energy: -97.574
bonds (distance) P-C4' energy: -104.547
flat angles C4'-P-C4' energy: -136.952
flat angles P-C4'-P energy: -84.151
tors. eta vs tors. theta energy: -187.592
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: 10, replica: 6
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -1931.920174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1931.920174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1954.681767 (E_RNA)
where:
Base-Base interactions energy: -1381.773
where: short stacking energy: -563.424
Base-Backbone interact. energy: 4.430
local terms energy: -577.339483
where:
bonds (distance) C4'-P energy: -92.632
bonds (distance) P-C4' energy: -124.149
flat angles C4'-P-C4' energy: -127.284
flat angles P-C4'-P energy: -73.846
tors. eta vs tors. theta energy: -159.428
Dist. restrs. and SS energy: 22.762 (S_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: 350
Temperature: 0.900000
Total energy: -2791.453302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2791.453302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2795.103625 (E_RNA)
where:
Base-Base interactions energy: -1961.304
where: short stacking energy: -834.423
Base-Backbone interact. energy: 3.107
local terms energy: -836.906551
where:
bonds (distance) C4'-P energy: -145.675
bonds (distance) P-C4' energy: -164.552
flat angles C4'-P-C4' energy: -175.814
flat angles P-C4'-P energy: -106.704
tors. eta vs tors. theta energy: -244.161
Dist. restrs. and SS energy: 3.650 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -2671.104200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2671.104200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2674.659948 (E_RNA)
where:
Base-Base interactions energy: -1875.463
where: short stacking energy: -778.332
Base-Backbone interact. energy: -3.165
local terms energy: -796.031731
where:
bonds (distance) C4'-P energy: -144.040
bonds (distance) P-C4' energy: -134.725
flat angles C4'-P-C4' energy: -164.734
flat angles P-C4'-P energy: -118.141
tors. eta vs tors. theta energy: -234.392
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: 5
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -2588.674193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2588.674193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2591.565467 (E_RNA)
where:
Base-Base interactions energy: -1807.772
where: short stacking energy: -765.767
Base-Backbone interact. energy: -3.485
local terms energy: -780.308049
where:
bonds (distance) C4'-P energy: -151.341
bonds (distance) P-C4' energy: -141.666
flat angles C4'-P-C4' energy: -156.710
flat angles P-C4'-P energy: -115.342
tors. eta vs tors. theta energy: -215.249
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: 4, replica: 8
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -2598.641094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2598.641094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2600.587913 (E_RNA)
where:
Base-Base interactions energy: -1824.183
where: short stacking energy: -790.801
Base-Backbone interact. energy: -1.771
local terms energy: -774.633823
where:
bonds (distance) C4'-P energy: -132.595
bonds (distance) P-C4' energy: -140.974
flat angles C4'-P-C4' energy: -156.212
flat angles P-C4'-P energy: -117.464
tors. eta vs tors. theta energy: -227.388
Dist. restrs. and SS energy: 1.947 (S_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: 350
Temperature: 1.100000
Total energy: -2442.844923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2442.844923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2449.352154 (E_RNA)
where:
Base-Base interactions energy: -1711.602
where: short stacking energy: -730.703
Base-Backbone interact. energy: -1.861
local terms energy: -735.888672
where:
bonds (distance) C4'-P energy: -117.587
bonds (distance) P-C4' energy: -160.116
flat angles C4'-P-C4' energy: -154.934
flat angles P-C4'-P energy: -97.113
tors. eta vs tors. theta energy: -206.139
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: 6, replica: 7
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -2358.862736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2358.862736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2367.219349 (E_RNA)
where:
Base-Base interactions energy: -1695.222
where: short stacking energy: -699.196
Base-Backbone interact. energy: 0.472
local terms energy: -672.469134
where:
bonds (distance) C4'-P energy: -116.570
bonds (distance) P-C4' energy: -122.908
flat angles C4'-P-C4' energy: -138.527
flat angles P-C4'-P energy: -92.122
tors. eta vs tors. theta energy: -202.342
Dist. restrs. and SS energy: 8.357 (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: 4
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -2258.505379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2258.505379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2268.806576 (E_RNA)
where:
Base-Base interactions energy: -1570.530
where: short stacking energy: -666.806
Base-Backbone interact. energy: 4.712
local terms energy: -702.988204
where:
bonds (distance) C4'-P energy: -132.609
bonds (distance) P-C4' energy: -123.930
flat angles C4'-P-C4' energy: -153.402
flat angles P-C4'-P energy: -94.230
tors. eta vs tors. theta energy: -198.817
Dist. restrs. and SS energy: 10.301 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -2185.937480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2185.937480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2193.466863 (E_RNA)
where:
Base-Base interactions energy: -1546.160
where: short stacking energy: -640.755
Base-Backbone interact. energy: -2.411
local terms energy: -644.895413
where:
bonds (distance) C4'-P energy: -89.879
bonds (distance) P-C4' energy: -110.845
flat angles C4'-P-C4' energy: -152.018
flat angles P-C4'-P energy: -102.194
tors. eta vs tors. theta energy: -189.959
Dist. restrs. and SS energy: 7.529 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -2100.843702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2100.843702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2112.888968 (E_RNA)
where:
Base-Base interactions energy: -1525.894
where: short stacking energy: -592.870
Base-Backbone interact. energy: 4.697
local terms energy: -591.692043
where:
bonds (distance) C4'-P energy: -111.220
bonds (distance) P-C4' energy: -117.185
flat angles C4'-P-C4' energy: -133.069
flat angles P-C4'-P energy: -77.873
tors. eta vs tors. theta energy: -152.345
Dist. restrs. and SS energy: 12.045 (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: 6
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -1923.852870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1923.852870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1940.958114 (E_RNA)
where:
Base-Base interactions energy: -1383.510
where: short stacking energy: -546.522
Base-Backbone interact. energy: -3.474
local terms energy: -553.974598
where:
bonds (distance) C4'-P energy: -95.860
bonds (distance) P-C4' energy: -110.353
flat angles C4'-P-C4' energy: -113.060
flat angles P-C4'-P energy: -81.224
tors. eta vs tors. theta energy: -153.477
Dist. restrs. and SS energy: 17.105 (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: 2
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -2818.961227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2818.961227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2824.494734 (E_RNA)
where:
Base-Base interactions energy: -1975.210
where: short stacking energy: -848.406
Base-Backbone interact. energy: -0.680
local terms energy: -848.604666
where:
bonds (distance) C4'-P energy: -135.744
bonds (distance) P-C4' energy: -145.266
flat angles C4'-P-C4' energy: -179.732
flat angles P-C4'-P energy: -132.841
tors. eta vs tors. theta energy: -255.022
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: 2, replica: 10
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -2684.374801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2684.374801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2689.174370 (E_RNA)
where:
Base-Base interactions energy: -1927.826
where: short stacking energy: -803.090
Base-Backbone interact. energy: -5.158
local terms energy: -756.190634
where:
bonds (distance) C4'-P energy: -126.435
bonds (distance) P-C4' energy: -121.830
flat angles C4'-P-C4' energy: -164.708
flat angles P-C4'-P energy: -114.819
tors. eta vs tors. theta energy: -228.398
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: 3, replica: 5
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -2587.527195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2587.527195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2590.772305 (E_RNA)
where:
Base-Base interactions energy: -1838.843
where: short stacking energy: -759.985
Base-Backbone interact. energy: -2.321
local terms energy: -749.608775
where:
bonds (distance) C4'-P energy: -102.654
bonds (distance) P-C4' energy: -147.274
flat angles C4'-P-C4' energy: -164.986
flat angles P-C4'-P energy: -111.112
tors. eta vs tors. theta energy: -223.583
Dist. restrs. and SS energy: 3.245 (S_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: 351
Temperature: 1.050000
Total energy: -2515.288428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2515.288428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2523.843289 (E_RNA)
where:
Base-Base interactions energy: -1756.502
where: short stacking energy: -749.445
Base-Backbone interact. energy: -0.185
local terms energy: -767.155807
where:
bonds (distance) C4'-P energy: -124.537
bonds (distance) P-C4' energy: -142.057
flat angles C4'-P-C4' energy: -163.290
flat angles P-C4'-P energy: -108.450
tors. eta vs tors. theta energy: -228.821
Dist. restrs. and SS energy: 8.555 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -2431.810615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2431.810615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2440.640191 (E_RNA)
where:
Base-Base interactions energy: -1722.698
where: short stacking energy: -721.715
Base-Backbone interact. energy: -3.193
local terms energy: -714.750100
where:
bonds (distance) C4'-P energy: -133.768
bonds (distance) P-C4' energy: -132.747
flat angles C4'-P-C4' energy: -148.066
flat angles P-C4'-P energy: -91.321
tors. eta vs tors. theta energy: -208.849
Dist. restrs. and SS energy: 8.830 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -2373.448163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2373.448163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2382.737218 (E_RNA)
where:
Base-Base interactions energy: -1686.692
where: short stacking energy: -706.236
Base-Backbone interact. energy: 0.329
local terms energy: -696.374333
where:
bonds (distance) C4'-P energy: -118.359
bonds (distance) P-C4' energy: -134.739
flat angles C4'-P-C4' energy: -143.322
flat angles P-C4'-P energy: -95.562
tors. eta vs tors. theta energy: -204.392
Dist. restrs. and SS energy: 9.289 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -2245.289507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2245.289507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2261.364297 (E_RNA)
where:
Base-Base interactions energy: -1576.577
where: short stacking energy: -678.005
Base-Backbone interact. energy: 6.843
local terms energy: -691.630384
where:
bonds (distance) C4'-P energy: -125.002
bonds (distance) P-C4' energy: -131.652
flat angles C4'-P-C4' energy: -149.769
flat angles P-C4'-P energy: -93.034
tors. eta vs tors. theta energy: -192.173
Dist. restrs. and SS energy: 16.075 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -2189.039671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2189.039671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2201.672592 (E_RNA)
where:
Base-Base interactions energy: -1579.983
where: short stacking energy: -657.834
Base-Backbone interact. energy: 0.330
local terms energy: -622.019196
where:
bonds (distance) C4'-P energy: -104.002
bonds (distance) P-C4' energy: -107.029
flat angles C4'-P-C4' energy: -134.817
flat angles P-C4'-P energy: -92.817
tors. eta vs tors. theta energy: -183.355
Dist. restrs. and SS energy: 12.633 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -2102.134889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2102.134889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2107.702525 (E_RNA)
where:
Base-Base interactions energy: -1452.039
where: short stacking energy: -602.622
Base-Backbone interact. energy: -2.801
local terms energy: -652.862628
where:
bonds (distance) C4'-P energy: -120.616
bonds (distance) P-C4' energy: -126.672
flat angles C4'-P-C4' energy: -139.724
flat angles P-C4'-P energy: -97.478
tors. eta vs tors. theta energy: -168.373
Dist. restrs. and SS energy: 5.568 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -1962.235365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1962.235365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.347072 (E_RNA)
where:
Base-Base interactions energy: -1379.797
where: short stacking energy: -552.270
Base-Backbone interact. energy: -2.488
local terms energy: -590.061536
where:
bonds (distance) C4'-P energy: -104.084
bonds (distance) P-C4' energy: -111.739
flat angles C4'-P-C4' energy: -132.119
flat angles P-C4'-P energy: -83.394
tors. eta vs tors. theta energy: -158.726
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: 1, replica: 2
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -2810.769188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2810.769188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2815.400771 (E_RNA)
where:
Base-Base interactions energy: -1966.665
where: short stacking energy: -829.672
Base-Backbone interact. energy: -3.799
local terms energy: -844.936653
where:
bonds (distance) C4'-P energy: -141.252
bonds (distance) P-C4' energy: -141.423
flat angles C4'-P-C4' energy: -181.119
flat angles P-C4'-P energy: -127.594
tors. eta vs tors. theta energy: -253.550
Dist. restrs. and SS energy: 4.632 (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: 10
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -2670.995912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2670.995912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2676.646176 (E_RNA)
where:
Base-Base interactions energy: -1891.232
where: short stacking energy: -786.990
Base-Backbone interact. energy: 2.324
local terms energy: -787.738583
where:
bonds (distance) C4'-P energy: -135.308
bonds (distance) P-C4' energy: -140.526
flat angles C4'-P-C4' energy: -168.574
flat angles P-C4'-P energy: -110.949
tors. eta vs tors. theta energy: -232.381
Dist. restrs. and SS energy: 5.650 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -2574.200058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2574.200058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2577.779789 (E_RNA)
where:
Base-Base interactions energy: -1793.300
where: short stacking energy: -754.295
Base-Backbone interact. energy: -4.564
local terms energy: -779.915346
where:
bonds (distance) C4'-P energy: -132.899
bonds (distance) P-C4' energy: -146.767
flat angles C4'-P-C4' energy: -167.515
flat angles P-C4'-P energy: -108.928
tors. eta vs tors. theta energy: -223.807
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: 4, replica: 5
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -2554.458091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2554.458091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2558.720992 (E_RNA)
where:
Base-Base interactions energy: -1805.128
where: short stacking energy: -758.191
Base-Backbone interact. energy: -3.790
local terms energy: -749.803063
where:
bonds (distance) C4'-P energy: -130.328
bonds (distance) P-C4' energy: -127.613
flat angles C4'-P-C4' energy: -156.655
flat angles P-C4'-P energy: -113.771
tors. eta vs tors. theta energy: -221.436
Dist. restrs. and SS energy: 4.263 (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: 7
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -2433.833777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2433.833777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2443.836213 (E_RNA)
where:
Base-Base interactions energy: -1712.056
where: short stacking energy: -727.484
Base-Backbone interact. energy: -2.005
local terms energy: -729.775438
where:
bonds (distance) C4'-P energy: -121.565
bonds (distance) P-C4' energy: -137.488
flat angles C4'-P-C4' energy: -156.358
flat angles P-C4'-P energy: -102.104
tors. eta vs tors. theta energy: -212.260
Dist. restrs. and SS energy: 10.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -2344.925858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2344.925858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2352.141405 (E_RNA)
where:
Base-Base interactions energy: -1633.874
where: short stacking energy: -689.128
Base-Backbone interact. energy: -1.196
local terms energy: -717.072248
where:
bonds (distance) C4'-P energy: -130.580
bonds (distance) P-C4' energy: -130.917
flat angles C4'-P-C4' energy: -149.952
flat angles P-C4'-P energy: -102.211
tors. eta vs tors. theta energy: -203.413
Dist. restrs. and SS energy: 7.216 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -2253.687600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2253.687600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2264.301818 (E_RNA)
where:
Base-Base interactions energy: -1580.541
where: short stacking energy: -676.171
Base-Backbone interact. energy: -2.414
local terms energy: -681.347053
where:
bonds (distance) C4'-P energy: -91.356
bonds (distance) P-C4' energy: -138.001
flat angles C4'-P-C4' energy: -149.572
flat angles P-C4'-P energy: -96.450
tors. eta vs tors. theta energy: -205.967
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: 8, replica: 1
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -2171.769399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2171.769399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2186.636624 (E_RNA)
where:
Base-Base interactions energy: -1554.221
where: short stacking energy: -647.866
Base-Backbone interact. energy: -3.233
local terms energy: -629.183022
where:
bonds (distance) C4'-P energy: -113.582
bonds (distance) P-C4' energy: -119.889
flat angles C4'-P-C4' energy: -135.521
flat angles P-C4'-P energy: -76.587
tors. eta vs tors. theta energy: -183.604
Dist. restrs. and SS energy: 14.867 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -2148.864108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2148.864108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2158.579918 (E_RNA)
where:
Base-Base interactions energy: -1523.414
where: short stacking energy: -631.473
Base-Backbone interact. energy: 0.328
local terms energy: -635.494370
where:
bonds (distance) C4'-P energy: -128.295
bonds (distance) P-C4' energy: -107.046
flat angles C4'-P-C4' energy: -133.349
flat angles P-C4'-P energy: -83.722
tors. eta vs tors. theta energy: -183.083
Dist. restrs. and SS energy: 9.716 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -1959.130362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.130362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1978.982317 (E_RNA)
where:
Base-Base interactions energy: -1390.400
where: short stacking energy: -548.034
Base-Backbone interact. energy: 1.472
local terms energy: -590.054265
where:
bonds (distance) C4'-P energy: -112.794
bonds (distance) P-C4' energy: -120.789
flat angles C4'-P-C4' energy: -109.257
flat angles P-C4'-P energy: -93.916
tors. eta vs tors. theta energy: -153.297
Dist. restrs. and SS energy: 19.852 (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: 2
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -2778.630767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2778.630767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2784.518080 (E_RNA)
where:
Base-Base interactions energy: -1969.612
where: short stacking energy: -810.763
Base-Backbone interact. energy: -2.524
local terms energy: -812.382387
where:
bonds (distance) C4'-P energy: -136.237
bonds (distance) P-C4' energy: -146.458
flat angles C4'-P-C4' energy: -180.755
flat angles P-C4'-P energy: -115.724
tors. eta vs tors. theta energy: -233.209
Dist. restrs. and SS energy: 5.887 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -2673.203268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2673.203268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2676.035409 (E_RNA)
where:
Base-Base interactions energy: -1889.930
where: short stacking energy: -785.043
Base-Backbone interact. energy: -6.278
local terms energy: -779.827055
where:
bonds (distance) C4'-P energy: -137.630
bonds (distance) P-C4' energy: -133.929
flat angles C4'-P-C4' energy: -160.996
flat angles P-C4'-P energy: -110.608
tors. eta vs tors. theta energy: -236.665
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: 3, replica: 8
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -2585.279242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2585.279242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2591.203038 (E_RNA)
where:
Base-Base interactions energy: -1836.229
where: short stacking energy: -760.381
Base-Backbone interact. energy: 0.848
local terms energy: -755.822534
where:
bonds (distance) C4'-P energy: -119.497
bonds (distance) P-C4' energy: -138.547
flat angles C4'-P-C4' energy: -158.956
flat angles P-C4'-P energy: -113.311
tors. eta vs tors. theta energy: -225.511
Dist. restrs. and SS energy: 5.924 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -2529.270711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2529.270711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2533.298593 (E_RNA)
where:
Base-Base interactions energy: -1773.314
where: short stacking energy: -750.210
Base-Backbone interact. energy: 0.207
local terms energy: -760.190970
where:
bonds (distance) C4'-P energy: -132.660
bonds (distance) P-C4' energy: -137.723
flat angles C4'-P-C4' energy: -164.119
flat angles P-C4'-P energy: -99.071
tors. eta vs tors. theta energy: -226.618
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: 5, replica: 7
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -2420.760065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2420.760065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2430.324967 (E_RNA)
where:
Base-Base interactions energy: -1713.709
where: short stacking energy: -732.024
Base-Backbone interact. energy: 1.981
local terms energy: -718.597243
where:
bonds (distance) C4'-P energy: -116.879
bonds (distance) P-C4' energy: -131.423
flat angles C4'-P-C4' energy: -160.699
flat angles P-C4'-P energy: -95.702
tors. eta vs tors. theta energy: -213.894
Dist. restrs. and SS energy: 9.565 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -2307.064903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2307.064903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2323.840044 (E_RNA)
where:
Base-Base interactions energy: -1641.878
where: short stacking energy: -687.335
Base-Backbone interact. energy: -1.095
local terms energy: -680.866750
where:
bonds (distance) C4'-P energy: -125.047
bonds (distance) P-C4' energy: -108.352
flat angles C4'-P-C4' energy: -148.764
flat angles P-C4'-P energy: -92.617
tors. eta vs tors. theta energy: -206.086
Dist. restrs. and SS energy: 16.775 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -2327.790780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2327.790780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2333.989150 (E_RNA)
where:
Base-Base interactions energy: -1653.965
where: short stacking energy: -690.067
Base-Backbone interact. energy: -1.294
local terms energy: -678.729754
where:
bonds (distance) C4'-P energy: -119.333
bonds (distance) P-C4' energy: -121.220
flat angles C4'-P-C4' energy: -143.645
flat angles P-C4'-P energy: -91.540
tors. eta vs tors. theta energy: -202.992
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: 8, replica: 1
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -2184.183501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2184.183501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2194.282823 (E_RNA)
where:
Base-Base interactions energy: -1528.713
where: short stacking energy: -636.691
Base-Backbone interact. energy: 0.930
local terms energy: -666.500179
where:
bonds (distance) C4'-P energy: -109.266
bonds (distance) P-C4' energy: -124.056
flat angles C4'-P-C4' energy: -155.811
flat angles P-C4'-P energy: -97.047
tors. eta vs tors. theta energy: -180.320
Dist. restrs. and SS energy: 10.099 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -2118.150605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2118.150605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2124.646597 (E_RNA)
where:
Base-Base interactions energy: -1487.209
where: short stacking energy: -617.655
Base-Backbone interact. energy: 0.141
local terms energy: -637.578852
where:
bonds (distance) C4'-P energy: -115.791
bonds (distance) P-C4' energy: -111.419
flat angles C4'-P-C4' energy: -134.260
flat angles P-C4'-P energy: -93.840
tors. eta vs tors. theta energy: -182.268
Dist. restrs. and SS energy: 6.496 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -1995.603076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1995.603076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2007.200508 (E_RNA)
where:
Base-Base interactions energy: -1421.222
where: short stacking energy: -567.833
Base-Backbone interact. energy: 0.119
local terms energy: -586.097968
where:
bonds (distance) C4'-P energy: -85.507
bonds (distance) P-C4' energy: -127.309
flat angles C4'-P-C4' energy: -128.339
flat angles P-C4'-P energy: -75.148
tors. eta vs tors. theta energy: -169.795
Dist. restrs. and SS energy: 11.597 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -2789.427292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2789.427292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2791.909112 (E_RNA)
where:
Base-Base interactions energy: -1964.431
where: short stacking energy: -805.857
Base-Backbone interact. energy: -1.525
local terms energy: -825.953234
where:
bonds (distance) C4'-P energy: -143.164
bonds (distance) P-C4' energy: -149.456
flat angles C4'-P-C4' energy: -171.949
flat angles P-C4'-P energy: -119.992
tors. eta vs tors. theta energy: -241.392
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: 10
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -2689.958909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2689.958909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2694.589899 (E_RNA)
where:
Base-Base interactions energy: -1873.288
where: short stacking energy: -817.229
Base-Backbone interact. energy: -1.595
local terms energy: -819.706448
where:
bonds (distance) C4'-P energy: -154.150
bonds (distance) P-C4' energy: -131.502
flat angles C4'-P-C4' energy: -175.067
flat angles P-C4'-P energy: -124.085
tors. eta vs tors. theta energy: -234.902
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: 354
Temperature: 1.000000
Total energy: -2591.067764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2591.067764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2595.098552 (E_RNA)
where:
Base-Base interactions energy: -1828.823
where: short stacking energy: -755.888
Base-Backbone interact. energy: 2.462
local terms energy: -768.737109
where:
bonds (distance) C4'-P energy: -145.222
bonds (distance) P-C4' energy: -131.379
flat angles C4'-P-C4' energy: -169.086
flat angles P-C4'-P energy: -109.022
tors. eta vs tors. theta energy: -214.027
Dist. restrs. and SS energy: 4.031 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -2566.976917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2566.976917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2570.366518 (E_RNA)
where:
Base-Base interactions energy: -1816.012
where: short stacking energy: -761.059
Base-Backbone interact. energy: -2.809
local terms energy: -751.546068
where:
bonds (distance) C4'-P energy: -129.925
bonds (distance) P-C4' energy: -149.374
flat angles C4'-P-C4' energy: -153.849
flat angles P-C4'-P energy: -103.446
tors. eta vs tors. theta energy: -214.952
Dist. restrs. and SS energy: 3.390 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -2438.761861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2438.761861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2445.800074 (E_RNA)
where:
Base-Base interactions energy: -1755.710
where: short stacking energy: -756.696
Base-Backbone interact. energy: -0.558
local terms energy: -689.531957
where:
bonds (distance) C4'-P energy: -98.793
bonds (distance) P-C4' energy: -130.860
flat angles C4'-P-C4' energy: -147.222
flat angles P-C4'-P energy: -82.488
tors. eta vs tors. theta energy: -230.169
Dist. restrs. and SS energy: 7.038 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -2325.500096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2325.500096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2338.987509 (E_RNA)
where:
Base-Base interactions energy: -1632.158
where: short stacking energy: -699.358
Base-Backbone interact. energy: -4.143
local terms energy: -702.686262
where:
bonds (distance) C4'-P energy: -125.596
bonds (distance) P-C4' energy: -124.496
flat angles C4'-P-C4' energy: -152.087
flat angles P-C4'-P energy: -97.868
tors. eta vs tors. theta energy: -202.639
Dist. restrs. and SS energy: 13.487 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -2299.285755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2299.285755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2306.160948 (E_RNA)
where:
Base-Base interactions energy: -1612.570
where: short stacking energy: -688.638
Base-Backbone interact. energy: 3.111
local terms energy: -696.702608
where:
bonds (distance) C4'-P energy: -123.539
bonds (distance) P-C4' energy: -129.396
flat angles C4'-P-C4' energy: -148.497
flat angles P-C4'-P energy: -92.352
tors. eta vs tors. theta energy: -202.918
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: 1
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -2235.650031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2235.650031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2245.400364 (E_RNA)
where:
Base-Base interactions energy: -1622.785
where: short stacking energy: -645.304
Base-Backbone interact. energy: 7.104
local terms energy: -629.719335
where:
bonds (distance) C4'-P energy: -99.190
bonds (distance) P-C4' energy: -123.970
flat angles C4'-P-C4' energy: -146.317
flat angles P-C4'-P energy: -77.079
tors. eta vs tors. theta energy: -183.163
Dist. restrs. and SS energy: 9.750 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -2136.436833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2136.436833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2146.217820 (E_RNA)
where:
Base-Base interactions energy: -1489.848
where: short stacking energy: -618.560
Base-Backbone interact. energy: -3.674
local terms energy: -652.696083
where:
bonds (distance) C4'-P energy: -111.604
bonds (distance) P-C4' energy: -113.952
flat angles C4'-P-C4' energy: -134.307
flat angles P-C4'-P energy: -101.103
tors. eta vs tors. theta energy: -191.730
Dist. restrs. and SS energy: 9.781 (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: 6
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -2032.174283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2032.174283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2042.074706 (E_RNA)
where:
Base-Base interactions energy: -1439.014
where: short stacking energy: -593.482
Base-Backbone interact. energy: -1.947
local terms energy: -601.113903
where:
bonds (distance) C4'-P energy: -101.631
bonds (distance) P-C4' energy: -121.896
flat angles C4'-P-C4' energy: -144.174
flat angles P-C4'-P energy: -76.161
tors. eta vs tors. theta energy: -157.251
Dist. restrs. and SS energy: 9.900 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -2834.597513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2834.597513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2837.616527 (E_RNA)
where:
Base-Base interactions energy: -1992.227
where: short stacking energy: -828.489
Base-Backbone interact. energy: -1.175
local terms energy: -844.214820
where:
bonds (distance) C4'-P energy: -146.583
bonds (distance) P-C4' energy: -141.567
flat angles C4'-P-C4' energy: -172.243
flat angles P-C4'-P energy: -128.781
tors. eta vs tors. theta energy: -255.041
Dist. restrs. and SS energy: 3.019 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -2692.851132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2692.851132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2698.808299 (E_RNA)
where:
Base-Base interactions energy: -1893.796
where: short stacking energy: -788.467
Base-Backbone interact. energy: -1.559
local terms energy: -803.453401
where:
bonds (distance) C4'-P energy: -147.763
bonds (distance) P-C4' energy: -138.834
flat angles C4'-P-C4' energy: -178.687
flat angles P-C4'-P energy: -110.500
tors. eta vs tors. theta energy: -227.670
Dist. restrs. and SS energy: 5.957 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -2611.873314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2611.873314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2614.714770 (E_RNA)
where:
Base-Base interactions energy: -1855.821
where: short stacking energy: -804.051
Base-Backbone interact. energy: -2.502
local terms energy: -756.391351
where:
bonds (distance) C4'-P energy: -128.757
bonds (distance) P-C4' energy: -126.894
flat angles C4'-P-C4' energy: -165.958
flat angles P-C4'-P energy: -112.764
tors. eta vs tors. theta energy: -222.018
Dist. restrs. and SS energy: 2.841 (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: 7
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -2459.136120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2459.136120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2465.908462 (E_RNA)
where:
Base-Base interactions energy: -1736.045
where: short stacking energy: -740.304
Base-Backbone interact. energy: -2.511
local terms energy: -727.352197
where:
bonds (distance) C4'-P energy: -136.428
bonds (distance) P-C4' energy: -107.269
flat angles C4'-P-C4' energy: -162.371
flat angles P-C4'-P energy: -111.115
tors. eta vs tors. theta energy: -210.168
Dist. restrs. and SS energy: 6.772 (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: 355
Temperature: 1.100000
Total energy: -2487.992473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2487.992473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2492.684972 (E_RNA)
where:
Base-Base interactions energy: -1747.523
where: short stacking energy: -749.949
Base-Backbone interact. energy: -1.526
local terms energy: -743.635467
where:
bonds (distance) C4'-P energy: -125.163
bonds (distance) P-C4' energy: -133.629
flat angles C4'-P-C4' energy: -146.597
flat angles P-C4'-P energy: -107.919
tors. eta vs tors. theta energy: -230.326
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: 6, replica: 4
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -2355.141978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2355.141978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2367.161931 (E_RNA)
where:
Base-Base interactions energy: -1651.399
where: short stacking energy: -696.650
Base-Backbone interact. energy: -4.565
local terms energy: -711.198270
where:
bonds (distance) C4'-P energy: -122.152
bonds (distance) P-C4' energy: -114.596
flat angles C4'-P-C4' energy: -163.415
flat angles P-C4'-P energy: -92.142
tors. eta vs tors. theta energy: -218.893
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: 7, replica: 3
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -2314.920575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2314.920575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2320.023394 (E_RNA)
where:
Base-Base interactions energy: -1640.316
where: short stacking energy: -678.194
Base-Backbone interact. energy: -1.793
local terms energy: -677.914161
where:
bonds (distance) C4'-P energy: -99.722
bonds (distance) P-C4' energy: -122.889
flat angles C4'-P-C4' energy: -156.642
flat angles P-C4'-P energy: -92.693
tors. eta vs tors. theta energy: -205.969
Dist. restrs. and SS energy: 5.103 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -2193.475591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2193.475591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2206.552917 (E_RNA)
where:
Base-Base interactions energy: -1550.823
where: short stacking energy: -648.642
Base-Backbone interact. energy: -0.167
local terms energy: -655.563150
where:
bonds (distance) C4'-P energy: -123.360
bonds (distance) P-C4' energy: -121.009
flat angles C4'-P-C4' energy: -139.692
flat angles P-C4'-P energy: -88.476
tors. eta vs tors. theta energy: -183.027
Dist. restrs. and SS energy: 13.077 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -2131.371413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2131.371413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2138.737893 (E_RNA)
where:
Base-Base interactions energy: -1539.965
where: short stacking energy: -625.627
Base-Backbone interact. energy: 0.989
local terms energy: -599.761828
where:
bonds (distance) C4'-P energy: -94.518
bonds (distance) P-C4' energy: -103.758
flat angles C4'-P-C4' energy: -124.022
flat angles P-C4'-P energy: -97.061
tors. eta vs tors. theta energy: -180.403
Dist. restrs. and SS energy: 7.366 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -2004.180019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2004.180019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2018.794905 (E_RNA)
where:
Base-Base interactions energy: -1428.965
where: short stacking energy: -583.620
Base-Backbone interact. energy: 0.677
local terms energy: -590.506365
where:
bonds (distance) C4'-P energy: -117.919
bonds (distance) P-C4' energy: -105.789
flat angles C4'-P-C4' energy: -129.550
flat angles P-C4'-P energy: -79.130
tors. eta vs tors. theta energy: -158.117
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: 1, replica: 2
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -2785.127706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2785.127706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2789.589310 (E_RNA)
where:
Base-Base interactions energy: -1962.102
where: short stacking energy: -833.445
Base-Backbone interact. energy: -0.936
local terms energy: -826.550836
where:
bonds (distance) C4'-P energy: -137.865
bonds (distance) P-C4' energy: -144.893
flat angles C4'-P-C4' energy: -171.413
flat angles P-C4'-P energy: -125.975
tors. eta vs tors. theta energy: -246.405
Dist. restrs. and SS energy: 4.462 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -2682.180507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2682.180507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2688.907468 (E_RNA)
where:
Base-Base interactions energy: -1874.049
where: short stacking energy: -772.410
Base-Backbone interact. energy: -1.413
local terms energy: -813.445581
where:
bonds (distance) C4'-P energy: -140.077
bonds (distance) P-C4' energy: -160.880
flat angles C4'-P-C4' energy: -165.524
flat angles P-C4'-P energy: -107.177
tors. eta vs tors. theta energy: -239.789
Dist. restrs. and SS energy: 6.727 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -2601.153393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2601.153393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2605.542701 (E_RNA)
where:
Base-Base interactions energy: -1799.161
where: short stacking energy: -771.313
Base-Backbone interact. energy: -2.710
local terms energy: -803.671983
where:
bonds (distance) C4'-P energy: -133.920
bonds (distance) P-C4' energy: -146.195
flat angles C4'-P-C4' energy: -169.752
flat angles P-C4'-P energy: -124.253
tors. eta vs tors. theta energy: -229.551
Dist. restrs. and SS energy: 4.389 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -2439.095375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2439.095375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2446.442267 (E_RNA)
where:
Base-Base interactions energy: -1708.083
where: short stacking energy: -725.514
Base-Backbone interact. energy: -1.862
local terms energy: -736.496931
where:
bonds (distance) C4'-P energy: -129.155
bonds (distance) P-C4' energy: -137.200
flat angles C4'-P-C4' energy: -163.834
flat angles P-C4'-P energy: -103.133
tors. eta vs tors. theta energy: -203.175
Dist. restrs. and SS energy: 7.347 (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: 356
Temperature: 1.100000
Total energy: -2521.806793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2521.806793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2527.413271 (E_RNA)
where:
Base-Base interactions energy: -1752.761
where: short stacking energy: -761.906
Base-Backbone interact. energy: -0.890
local terms energy: -773.762229
where:
bonds (distance) C4'-P energy: -129.196
bonds (distance) P-C4' energy: -149.131
flat angles C4'-P-C4' energy: -160.838
flat angles P-C4'-P energy: -104.737
tors. eta vs tors. theta energy: -229.859
Dist. restrs. and SS energy: 5.606 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -2324.788468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2324.788468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2333.416838 (E_RNA)
where:
Base-Base interactions energy: -1640.416
where: short stacking energy: -672.539
Base-Backbone interact. energy: -2.412
local terms energy: -690.588437
where:
bonds (distance) C4'-P energy: -120.306
bonds (distance) P-C4' energy: -123.899
flat angles C4'-P-C4' energy: -145.912
flat angles P-C4'-P energy: -99.507
tors. eta vs tors. theta energy: -200.965
Dist. restrs. and SS energy: 8.628 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -2342.601274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2342.601274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2350.104506 (E_RNA)
where:
Base-Base interactions energy: -1636.086
where: short stacking energy: -698.919
Base-Backbone interact. energy: -3.395
local terms energy: -710.623412
where:
bonds (distance) C4'-P energy: -124.916
bonds (distance) P-C4' energy: -132.847
flat angles C4'-P-C4' energy: -163.456
flat angles P-C4'-P energy: -79.380
tors. eta vs tors. theta energy: -210.024
Dist. restrs. and SS energy: 7.503 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -2200.880378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2200.880378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2220.923078 (E_RNA)
where:
Base-Base interactions energy: -1581.255
where: short stacking energy: -670.707
Base-Backbone interact. energy: 2.935
local terms energy: -642.603098
where:
bonds (distance) C4'-P energy: -124.241
bonds (distance) P-C4' energy: -101.633
flat angles C4'-P-C4' energy: -130.453
flat angles P-C4'-P energy: -90.567
tors. eta vs tors. theta energy: -195.709
Dist. restrs. and SS energy: 20.043 (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: 9
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -2145.729368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2145.729368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2155.197246 (E_RNA)
where:
Base-Base interactions energy: -1522.979
where: short stacking energy: -628.096
Base-Backbone interact. energy: 0.837
local terms energy: -633.054998
where:
bonds (distance) C4'-P energy: -105.611
bonds (distance) P-C4' energy: -113.352
flat angles C4'-P-C4' energy: -134.692
flat angles P-C4'-P energy: -95.872
tors. eta vs tors. theta energy: -183.529
Dist. restrs. and SS energy: 9.468 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -1947.202058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1947.202058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1961.767401 (E_RNA)
where:
Base-Base interactions energy: -1412.599
where: short stacking energy: -549.685
Base-Backbone interact. energy: -2.666
local terms energy: -546.502528
where:
bonds (distance) C4'-P energy: -99.738
bonds (distance) P-C4' energy: -103.653
flat angles C4'-P-C4' energy: -126.966
flat angles P-C4'-P energy: -64.535
tors. eta vs tors. theta energy: -151.611
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: 1, replica: 2
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -2776.056039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2776.056039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2779.292919 (E_RNA)
where:
Base-Base interactions energy: -1944.497
where: short stacking energy: -814.219
Base-Backbone interact. energy: -2.989
local terms energy: -831.807526
where:
bonds (distance) C4'-P energy: -146.133
bonds (distance) P-C4' energy: -149.732
flat angles C4'-P-C4' energy: -178.289
flat angles P-C4'-P energy: -119.329
tors. eta vs tors. theta energy: -238.323
Dist. restrs. and SS energy: 3.237 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -2688.067839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2688.067839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2693.846276 (E_RNA)
where:
Base-Base interactions energy: -1908.834
where: short stacking energy: -793.605
Base-Backbone interact. energy: -2.904
local terms energy: -782.108524
where:
bonds (distance) C4'-P energy: -132.334
bonds (distance) P-C4' energy: -139.846
flat angles C4'-P-C4' energy: -162.963
flat angles P-C4'-P energy: -107.291
tors. eta vs tors. theta energy: -239.675
Dist. restrs. and SS energy: 5.778 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -2606.365299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2606.365299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2613.139409 (E_RNA)
where:
Base-Base interactions energy: -1829.322
where: short stacking energy: -769.459
Base-Backbone interact. energy: 3.604
local terms energy: -787.420860
where:
bonds (distance) C4'-P energy: -132.009
bonds (distance) P-C4' energy: -151.102
flat angles C4'-P-C4' energy: -165.092
flat angles P-C4'-P energy: -101.228
tors. eta vs tors. theta energy: -237.989
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: 4, replica: 5
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -2564.970141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2564.970141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2568.498402 (E_RNA)
where:
Base-Base interactions energy: -1785.252
where: short stacking energy: -742.479
Base-Backbone interact. energy: -1.319
local terms energy: -781.927959
where:
bonds (distance) C4'-P energy: -144.026
bonds (distance) P-C4' energy: -139.561
flat angles C4'-P-C4' energy: -153.130
flat angles P-C4'-P energy: -115.647
tors. eta vs tors. theta energy: -229.563
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: 5, replica: 7
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -2433.223973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2433.223973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2439.615191 (E_RNA)
where:
Base-Base interactions energy: -1683.498
where: short stacking energy: -696.679
Base-Backbone interact. energy: -1.400
local terms energy: -754.716847
where:
bonds (distance) C4'-P energy: -127.530
bonds (distance) P-C4' energy: -128.784
flat angles C4'-P-C4' energy: -161.042
flat angles P-C4'-P energy: -113.257
tors. eta vs tors. theta energy: -224.103
Dist. restrs. and SS energy: 6.391 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -2334.048459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2334.048459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2340.173193 (E_RNA)
where:
Base-Base interactions energy: -1630.743
where: short stacking energy: -689.507
Base-Backbone interact. energy: -1.804
local terms energy: -707.625630
where:
bonds (distance) C4'-P energy: -121.074
bonds (distance) P-C4' energy: -143.484
flat angles C4'-P-C4' energy: -148.384
flat angles P-C4'-P energy: -93.331
tors. eta vs tors. theta energy: -201.354
Dist. restrs. and SS energy: 6.125 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -2242.946585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2242.946585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2255.701596 (E_RNA)
where:
Base-Base interactions energy: -1561.906
where: short stacking energy: -636.750
Base-Backbone interact. energy: 2.395
local terms energy: -696.190312
where:
bonds (distance) C4'-P energy: -130.149
bonds (distance) P-C4' energy: -132.250
flat angles C4'-P-C4' energy: -154.788
flat angles P-C4'-P energy: -89.646
tors. eta vs tors. theta energy: -189.358
Dist. restrs. and SS energy: 12.755 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -2219.162342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2219.162342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2230.674013 (E_RNA)
where:
Base-Base interactions energy: -1578.245
where: short stacking energy: -663.056
Base-Backbone interact. energy: -0.382
local terms energy: -652.047073
where:
bonds (distance) C4'-P energy: -119.035
bonds (distance) P-C4' energy: -115.396
flat angles C4'-P-C4' energy: -139.438
flat angles P-C4'-P energy: -104.752
tors. eta vs tors. theta energy: -173.426
Dist. restrs. and SS energy: 11.512 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -2112.298492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2112.298492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2121.775268 (E_RNA)
where:
Base-Base interactions energy: -1473.181
where: short stacking energy: -607.487
Base-Backbone interact. energy: -1.133
local terms energy: -647.460916
where:
bonds (distance) C4'-P energy: -113.830
bonds (distance) P-C4' energy: -131.298
flat angles C4'-P-C4' energy: -141.212
flat angles P-C4'-P energy: -86.141
tors. eta vs tors. theta energy: -174.979
Dist. restrs. and SS energy: 9.477 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -2010.566775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2010.566775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2022.455301 (E_RNA)
where:
Base-Base interactions energy: -1414.942
where: short stacking energy: -582.228
Base-Backbone interact. energy: 5.552
local terms energy: -613.065302
where:
bonds (distance) C4'-P energy: -108.780
bonds (distance) P-C4' energy: -105.729
flat angles C4'-P-C4' energy: -144.674
flat angles P-C4'-P energy: -91.544
tors. eta vs tors. theta energy: -162.338
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: 1, replica: 2
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -2800.441985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2800.441985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2804.436047 (E_RNA)
where:
Base-Base interactions energy: -1980.838
where: short stacking energy: -817.320
Base-Backbone interact. energy: -4.243
local terms energy: -819.355851
where:
bonds (distance) C4'-P energy: -139.005
bonds (distance) P-C4' energy: -145.338
flat angles C4'-P-C4' energy: -167.466
flat angles P-C4'-P energy: -121.785
tors. eta vs tors. theta energy: -245.762
Dist. restrs. and SS energy: 3.994 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -2693.967244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2693.967244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2699.485540 (E_RNA)
where:
Base-Base interactions energy: -1884.823
where: short stacking energy: -778.729
Base-Backbone interact. energy: -1.580
local terms energy: -813.082470
where:
bonds (distance) C4'-P energy: -141.632
bonds (distance) P-C4' energy: -151.495
flat angles C4'-P-C4' energy: -171.402
flat angles P-C4'-P energy: -112.386
tors. eta vs tors. theta energy: -236.168
Dist. restrs. and SS energy: 5.518 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -2617.858099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2617.858099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2626.339077 (E_RNA)
where:
Base-Base interactions energy: -1852.034
where: short stacking energy: -775.443
Base-Backbone interact. energy: -2.630
local terms energy: -771.675875
where:
bonds (distance) C4'-P energy: -120.633
bonds (distance) P-C4' energy: -130.991
flat angles C4'-P-C4' energy: -164.635
flat angles P-C4'-P energy: -117.070
tors. eta vs tors. theta energy: -238.346
Dist. restrs. and SS energy: 8.481 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -2540.002451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2540.002451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2542.652500 (E_RNA)
where:
Base-Base interactions energy: -1769.001
where: short stacking energy: -758.691
Base-Backbone interact. energy: -4.642
local terms energy: -769.009862
where:
bonds (distance) C4'-P energy: -133.161
bonds (distance) P-C4' energy: -154.003
flat angles C4'-P-C4' energy: -156.719
flat angles P-C4'-P energy: -98.922
tors. eta vs tors. theta energy: -226.204
Dist. restrs. and SS energy: 2.650 (S_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: 358
Temperature: 1.100000
Total energy: -2460.478959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2460.478959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2468.615687 (E_RNA)
where:
Base-Base interactions energy: -1721.987
where: short stacking energy: -729.503
Base-Backbone interact. energy: 1.238
local terms energy: -747.866548
where:
bonds (distance) C4'-P energy: -120.855
bonds (distance) P-C4' energy: -139.827
flat angles C4'-P-C4' energy: -156.354
flat angles P-C4'-P energy: -115.616
tors. eta vs tors. theta energy: -215.215
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: 6, replica: 3
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -2381.651986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2381.651986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2391.220628 (E_RNA)
where:
Base-Base interactions energy: -1707.119
where: short stacking energy: -726.861
Base-Backbone interact. energy: -3.228
local terms energy: -680.873969
where:
bonds (distance) C4'-P energy: -101.928
bonds (distance) P-C4' energy: -116.505
flat angles C4'-P-C4' energy: -150.536
flat angles P-C4'-P energy: -98.634
tors. eta vs tors. theta energy: -213.271
Dist. restrs. and SS energy: 9.569 (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: 4
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -2260.455197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2260.455197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2270.398858 (E_RNA)
where:
Base-Base interactions energy: -1601.484
where: short stacking energy: -637.343
Base-Backbone interact. energy: 0.989
local terms energy: -669.904089
where:
bonds (distance) C4'-P energy: -109.801
bonds (distance) P-C4' energy: -119.132
flat angles C4'-P-C4' energy: -158.465
flat angles P-C4'-P energy: -91.370
tors. eta vs tors. theta energy: -191.136
Dist. restrs. and SS energy: 9.944 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -2207.620405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2207.620405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2226.518861 (E_RNA)
where:
Base-Base interactions energy: -1576.508
where: short stacking energy: -658.266
Base-Backbone interact. energy: 1.925
local terms energy: -651.935966
where:
bonds (distance) C4'-P energy: -108.313
bonds (distance) P-C4' energy: -125.153
flat angles C4'-P-C4' energy: -142.313
flat angles P-C4'-P energy: -80.979
tors. eta vs tors. theta energy: -195.177
Dist. restrs. and SS energy: 18.898 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -2135.729005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2135.729005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2143.481045 (E_RNA)
where:
Base-Base interactions energy: -1486.189
where: short stacking energy: -604.188
Base-Backbone interact. energy: -1.023
local terms energy: -656.269606
where:
bonds (distance) C4'-P energy: -103.092
bonds (distance) P-C4' energy: -126.233
flat angles C4'-P-C4' energy: -150.537
flat angles P-C4'-P energy: -97.287
tors. eta vs tors. theta energy: -179.122
Dist. restrs. and SS energy: 7.752 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -2007.108077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2007.108077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2022.234249 (E_RNA)
where:
Base-Base interactions energy: -1407.054
where: short stacking energy: -591.992
Base-Backbone interact. energy: -0.617
local terms energy: -614.563955
where:
bonds (distance) C4'-P energy: -115.755
bonds (distance) P-C4' energy: -105.101
flat angles C4'-P-C4' energy: -129.440
flat angles P-C4'-P energy: -84.105
tors. eta vs tors. theta energy: -180.162
Dist. restrs. and SS energy: 15.126 (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: 2
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -2774.716470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2774.716470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2779.508165 (E_RNA)
where:
Base-Base interactions energy: -1935.856
where: short stacking energy: -845.837
Base-Backbone interact. energy: -1.664
local terms energy: -841.988196
where:
bonds (distance) C4'-P energy: -129.854
bonds (distance) P-C4' energy: -149.384
flat angles C4'-P-C4' energy: -187.055
flat angles P-C4'-P energy: -118.282
tors. eta vs tors. theta energy: -257.413
Dist. restrs. and SS energy: 4.792 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -2667.331260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2667.331260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2674.884161 (E_RNA)
where:
Base-Base interactions energy: -1860.078
where: short stacking energy: -799.150
Base-Backbone interact. energy: -1.222
local terms energy: -813.584433
where:
bonds (distance) C4'-P energy: -137.199
bonds (distance) P-C4' energy: -146.380
flat angles C4'-P-C4' energy: -169.942
flat angles P-C4'-P energy: -115.577
tors. eta vs tors. theta energy: -244.486
Dist. restrs. and SS energy: 7.553 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -2633.698556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2633.698556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2639.716646 (E_RNA)
where:
Base-Base interactions energy: -1856.676
where: short stacking energy: -791.936
Base-Backbone interact. energy: -1.323
local terms energy: -781.717648
where:
bonds (distance) C4'-P energy: -134.975
bonds (distance) P-C4' energy: -141.559
flat angles C4'-P-C4' energy: -152.215
flat angles P-C4'-P energy: -114.036
tors. eta vs tors. theta energy: -238.932
Dist. restrs. and SS energy: 6.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -2546.503419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2546.503419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2549.878100 (E_RNA)
where:
Base-Base interactions energy: -1770.001
where: short stacking energy: -757.780
Base-Backbone interact. energy: -2.388
local terms energy: -777.489195
where:
bonds (distance) C4'-P energy: -145.250
bonds (distance) P-C4' energy: -143.924
flat angles C4'-P-C4' energy: -156.133
flat angles P-C4'-P energy: -106.496
tors. eta vs tors. theta energy: -225.687
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: 5, replica: 7
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -2420.446147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2420.446147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2431.359342 (E_RNA)
where:
Base-Base interactions energy: -1695.412
where: short stacking energy: -730.035
Base-Backbone interact. energy: -1.915
local terms energy: -734.032618
where:
bonds (distance) C4'-P energy: -115.003
bonds (distance) P-C4' energy: -142.445
flat angles C4'-P-C4' energy: -162.465
flat angles P-C4'-P energy: -99.360
tors. eta vs tors. theta energy: -214.760
Dist. restrs. and SS energy: 10.913 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -2379.913475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2379.913475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2387.045243 (E_RNA)
where:
Base-Base interactions energy: -1661.460
where: short stacking energy: -680.109
Base-Backbone interact. energy: 1.227
local terms energy: -726.812532
where:
bonds (distance) C4'-P energy: -132.687
bonds (distance) P-C4' energy: -130.719
flat angles C4'-P-C4' energy: -156.340
flat angles P-C4'-P energy: -105.431
tors. eta vs tors. theta energy: -201.636
Dist. restrs. and SS energy: 7.132 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -2258.732840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2258.732840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2268.930363 (E_RNA)
where:
Base-Base interactions energy: -1579.736
where: short stacking energy: -653.094
Base-Backbone interact. energy: -4.005
local terms energy: -685.189186
where:
bonds (distance) C4'-P energy: -116.979
bonds (distance) P-C4' energy: -128.069
flat angles C4'-P-C4' energy: -148.928
flat angles P-C4'-P energy: -97.537
tors. eta vs tors. theta energy: -193.675
Dist. restrs. and SS energy: 10.198 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -2201.616708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2201.616708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2210.008278 (E_RNA)
where:
Base-Base interactions energy: -1607.356
where: short stacking energy: -647.082
Base-Backbone interact. energy: 9.586
local terms energy: -612.238272
where:
bonds (distance) C4'-P energy: -115.004
bonds (distance) P-C4' energy: -97.737
flat angles C4'-P-C4' energy: -132.831
flat angles P-C4'-P energy: -69.599
tors. eta vs tors. theta energy: -197.067
Dist. restrs. and SS energy: 8.392 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -2126.125912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2126.125912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2135.291489 (E_RNA)
where:
Base-Base interactions energy: -1491.312
where: short stacking energy: -591.063
Base-Backbone interact. energy: 2.727
local terms energy: -646.706546
where:
bonds (distance) C4'-P energy: -107.793
bonds (distance) P-C4' energy: -125.891
flat angles C4'-P-C4' energy: -134.820
flat angles P-C4'-P energy: -92.721
tors. eta vs tors. theta energy: -185.482
Dist. restrs. and SS energy: 9.166 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -1988.679675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1988.679675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.330118 (E_RNA)
where:
Base-Base interactions energy: -1394.259
where: short stacking energy: -581.607
Base-Backbone interact. energy: -3.454
local terms energy: -604.617087
where:
bonds (distance) C4'-P energy: -106.205
bonds (distance) P-C4' energy: -116.060
flat angles C4'-P-C4' energy: -134.928
flat angles P-C4'-P energy: -79.512
tors. eta vs tors. theta energy: -167.912
Dist. restrs. and SS energy: 13.650 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -2803.325206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2803.325206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2806.732241 (E_RNA)
where:
Base-Base interactions energy: -1945.705
where: short stacking energy: -814.558
Base-Backbone interact. energy: -0.317
local terms energy: -860.710323
where:
bonds (distance) C4'-P energy: -161.363
bonds (distance) P-C4' energy: -147.850
flat angles C4'-P-C4' energy: -173.123
flat angles P-C4'-P energy: -127.764
tors. eta vs tors. theta energy: -250.610
Dist. restrs. and SS energy: 3.407 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -2673.741829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2673.741829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2683.383776 (E_RNA)
where:
Base-Base interactions energy: -1903.642
where: short stacking energy: -793.670
Base-Backbone interact. energy: -3.591
local terms energy: -776.151136
where:
bonds (distance) C4'-P energy: -139.432
bonds (distance) P-C4' energy: -122.413
flat angles C4'-P-C4' energy: -159.929
flat angles P-C4'-P energy: -109.122
tors. eta vs tors. theta energy: -245.255
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: 3, replica: 8
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -2627.448125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2627.448125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2633.471593 (E_RNA)
where:
Base-Base interactions energy: -1831.641
where: short stacking energy: -760.455
Base-Backbone interact. energy: -0.293
local terms energy: -801.538523
where:
bonds (distance) C4'-P energy: -128.280
bonds (distance) P-C4' energy: -146.485
flat angles C4'-P-C4' energy: -167.794
flat angles P-C4'-P energy: -122.756
tors. eta vs tors. theta energy: -236.224
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: 5
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -2521.624722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2521.624722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2525.045054 (E_RNA)
where:
Base-Base interactions energy: -1783.760
where: short stacking energy: -761.336
Base-Backbone interact. energy: -3.449
local terms energy: -737.835544
where:
bonds (distance) C4'-P energy: -133.697
bonds (distance) P-C4' energy: -122.491
flat angles C4'-P-C4' energy: -159.037
flat angles P-C4'-P energy: -106.208
tors. eta vs tors. theta energy: -216.403
Dist. restrs. and SS energy: 3.420 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -2439.046001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2439.046001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2446.542937 (E_RNA)
where:
Base-Base interactions energy: -1717.267
where: short stacking energy: -722.156
Base-Backbone interact. energy: -2.522
local terms energy: -726.754640
where:
bonds (distance) C4'-P energy: -118.856
bonds (distance) P-C4' energy: -128.864
flat angles C4'-P-C4' energy: -157.727
flat angles P-C4'-P energy: -104.466
tors. eta vs tors. theta energy: -216.841
Dist. restrs. and SS energy: 7.497 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -2387.204082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2387.204082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2393.338506 (E_RNA)
where:
Base-Base interactions energy: -1675.570
where: short stacking energy: -716.212
Base-Backbone interact. energy: 0.618
local terms energy: -718.386367
where:
bonds (distance) C4'-P energy: -127.840
bonds (distance) P-C4' energy: -115.617
flat angles C4'-P-C4' energy: -161.303
flat angles P-C4'-P energy: -104.557
tors. eta vs tors. theta energy: -209.069
Dist. restrs. and SS energy: 6.134 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -2267.698092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2267.698092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2275.659598 (E_RNA)
where:
Base-Base interactions energy: -1589.040
where: short stacking energy: -662.823
Base-Backbone interact. energy: 1.482
local terms energy: -688.101757
where:
bonds (distance) C4'-P energy: -134.690
bonds (distance) P-C4' energy: -121.063
flat angles C4'-P-C4' energy: -147.304
flat angles P-C4'-P energy: -87.863
tors. eta vs tors. theta energy: -197.182
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: 8, replica: 1
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -2247.731011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2247.731011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2254.248261 (E_RNA)
where:
Base-Base interactions energy: -1608.853
where: short stacking energy: -670.607
Base-Backbone interact. energy: 5.957
local terms energy: -651.353062
where:
bonds (distance) C4'-P energy: -117.108
bonds (distance) P-C4' energy: -104.697
flat angles C4'-P-C4' energy: -138.699
flat angles P-C4'-P energy: -89.919
tors. eta vs tors. theta energy: -200.930
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: 9, replica: 9
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -2127.600441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2127.600441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2139.736698 (E_RNA)
where:
Base-Base interactions energy: -1534.654
where: short stacking energy: -631.971
Base-Backbone interact. energy: 1.538
local terms energy: -606.620239
where:
bonds (distance) C4'-P energy: -102.612
bonds (distance) P-C4' energy: -94.225
flat angles C4'-P-C4' energy: -143.981
flat angles P-C4'-P energy: -94.914
tors. eta vs tors. theta energy: -170.888
Dist. restrs. and SS energy: 12.136 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -1936.386420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1936.386420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.217174 (E_RNA)
where:
Base-Base interactions energy: -1388.998
where: short stacking energy: -552.010
Base-Backbone interact. energy: -2.438
local terms energy: -557.781390
where:
bonds (distance) C4'-P energy: -94.807
bonds (distance) P-C4' energy: -122.840
flat angles C4'-P-C4' energy: -124.357
flat angles P-C4'-P energy: -80.741
tors. eta vs tors. theta energy: -135.036
Dist. restrs. and SS energy: 12.831 (S_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: 361
Temperature: 0.900000
Total energy: -2799.686317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2799.686317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2803.956973 (E_RNA)
where:
Base-Base interactions energy: -1968.201
where: short stacking energy: -834.555
Base-Backbone interact. energy: -1.161
local terms energy: -834.595334
where:
bonds (distance) C4'-P energy: -146.391
bonds (distance) P-C4' energy: -142.492
flat angles C4'-P-C4' energy: -164.307
flat angles P-C4'-P energy: -124.326
tors. eta vs tors. theta energy: -257.080
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: 2, replica: 8
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -2655.264745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2655.264745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2661.084767 (E_RNA)
where:
Base-Base interactions energy: -1854.240
where: short stacking energy: -784.423
Base-Backbone interact. energy: -1.736
local terms energy: -805.108257
where:
bonds (distance) C4'-P energy: -133.490
bonds (distance) P-C4' energy: -143.967
flat angles C4'-P-C4' energy: -168.250
flat angles P-C4'-P energy: -116.291
tors. eta vs tors. theta energy: -243.111
Dist. restrs. and SS energy: 5.820 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -2671.170724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2671.170724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2681.559771 (E_RNA)
where:
Base-Base interactions energy: -1877.335
where: short stacking energy: -786.203
Base-Backbone interact. energy: -2.199
local terms energy: -802.025635
where:
bonds (distance) C4'-P energy: -130.972
bonds (distance) P-C4' energy: -151.396
flat angles C4'-P-C4' energy: -174.996
flat angles P-C4'-P energy: -102.019
tors. eta vs tors. theta energy: -242.643
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: 4, replica: 5
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -2561.724009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2561.724009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2564.447576 (E_RNA)
where:
Base-Base interactions energy: -1798.151
where: short stacking energy: -753.466
Base-Backbone interact. energy: 2.315
local terms energy: -768.610774
where:
bonds (distance) C4'-P energy: -134.688
bonds (distance) P-C4' energy: -128.197
flat angles C4'-P-C4' energy: -172.349
flat angles P-C4'-P energy: -98.315
tors. eta vs tors. theta energy: -235.061
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: 5, replica: 3
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -2453.322403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2453.322403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2460.104393 (E_RNA)
where:
Base-Base interactions energy: -1723.757
where: short stacking energy: -753.949
Base-Backbone interact. energy: -2.956
local terms energy: -733.392179
where:
bonds (distance) C4'-P energy: -140.101
bonds (distance) P-C4' energy: -122.146
flat angles C4'-P-C4' energy: -146.278
flat angles P-C4'-P energy: -92.440
tors. eta vs tors. theta energy: -232.428
Dist. restrs. and SS energy: 6.782 (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: 7
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -2381.833126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2381.833126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2390.456166 (E_RNA)
where:
Base-Base interactions energy: -1685.420
where: short stacking energy: -720.871
Base-Backbone interact. energy: 0.521
local terms energy: -705.557099
where:
bonds (distance) C4'-P energy: -128.872
bonds (distance) P-C4' energy: -116.554
flat angles C4'-P-C4' energy: -144.864
flat angles P-C4'-P energy: -95.962
tors. eta vs tors. theta energy: -219.305
Dist. restrs. and SS energy: 8.623 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -2223.117544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2223.117544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2237.420587 (E_RNA)
where:
Base-Base interactions energy: -1574.649
where: short stacking energy: -644.880
Base-Backbone interact. energy: -2.198
local terms energy: -660.573191
where:
bonds (distance) C4'-P energy: -111.158
bonds (distance) P-C4' energy: -117.426
flat angles C4'-P-C4' energy: -142.563
flat angles P-C4'-P energy: -92.100
tors. eta vs tors. theta energy: -197.326
Dist. restrs. and SS energy: 14.303 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -2223.569990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2223.569990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2243.723220 (E_RNA)
where:
Base-Base interactions energy: -1591.819
where: short stacking energy: -648.810
Base-Backbone interact. energy: -1.209
local terms energy: -650.695827
where:
bonds (distance) C4'-P energy: -127.056
bonds (distance) P-C4' energy: -107.061
flat angles C4'-P-C4' energy: -143.638
flat angles P-C4'-P energy: -90.374
tors. eta vs tors. theta energy: -182.567
Dist. restrs. and SS energy: 20.153 (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: 9
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -2099.088909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2099.088909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2112.011767 (E_RNA)
where:
Base-Base interactions energy: -1493.427
where: short stacking energy: -605.065
Base-Backbone interact. energy: -0.211
local terms energy: -618.373735
where:
bonds (distance) C4'-P energy: -103.620
bonds (distance) P-C4' energy: -120.995
flat angles C4'-P-C4' energy: -136.964
flat angles P-C4'-P energy: -92.314
tors. eta vs tors. theta energy: -164.482
Dist. restrs. and SS energy: 12.923 (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: 6
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -1971.417944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1971.417944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1988.938115 (E_RNA)
where:
Base-Base interactions energy: -1393.457
where: short stacking energy: -563.942
Base-Backbone interact. energy: 2.962
local terms energy: -598.443604
where:
bonds (distance) C4'-P energy: -100.350
bonds (distance) P-C4' energy: -129.301
flat angles C4'-P-C4' energy: -127.858
flat angles P-C4'-P energy: -84.611
tors. eta vs tors. theta energy: -156.323
Dist. restrs. and SS energy: 17.520 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -2790.326689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2790.326689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2794.219564 (E_RNA)
where:
Base-Base interactions energy: -1964.911
where: short stacking energy: -838.663
Base-Backbone interact. energy: -2.448
local terms energy: -826.860431
where:
bonds (distance) C4'-P energy: -149.578
bonds (distance) P-C4' energy: -137.797
flat angles C4'-P-C4' energy: -167.720
flat angles P-C4'-P energy: -121.200
tors. eta vs tors. theta energy: -250.566
Dist. restrs. and SS energy: 3.893 (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: 8
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -2669.566622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2669.566622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2677.117820 (E_RNA)
where:
Base-Base interactions energy: -1854.020
where: short stacking energy: -802.701
Base-Backbone interact. energy: -3.400
local terms energy: -819.697427
where:
bonds (distance) C4'-P energy: -141.702
bonds (distance) P-C4' energy: -149.494
flat angles C4'-P-C4' energy: -166.144
flat angles P-C4'-P energy: -118.180
tors. eta vs tors. theta energy: -244.178
Dist. restrs. and SS energy: 7.551 (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: 362
Temperature: 1.000000
Total energy: -2641.572014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2641.572014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2649.556066 (E_RNA)
where:
Base-Base interactions energy: -1874.124
where: short stacking energy: -773.894
Base-Backbone interact. energy: -3.172
local terms energy: -772.260502
where:
bonds (distance) C4'-P energy: -142.459
bonds (distance) P-C4' energy: -133.367
flat angles C4'-P-C4' energy: -158.932
flat angles P-C4'-P energy: -110.323
tors. eta vs tors. theta energy: -227.181
Dist. restrs. and SS energy: 7.984 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -2540.977664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2540.977664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2545.327441 (E_RNA)
where:
Base-Base interactions energy: -1770.803
where: short stacking energy: -738.693
Base-Backbone interact. energy: 0.434
local terms energy: -774.958787
where:
bonds (distance) C4'-P energy: -144.837
bonds (distance) P-C4' energy: -138.708
flat angles C4'-P-C4' energy: -158.921
flat angles P-C4'-P energy: -110.733
tors. eta vs tors. theta energy: -221.759
Dist. restrs. and SS energy: 4.350 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -2442.077501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2442.077501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2447.212731 (E_RNA)
where:
Base-Base interactions energy: -1710.810
where: short stacking energy: -708.765
Base-Backbone interact. energy: -2.085
local terms energy: -734.317797
where:
bonds (distance) C4'-P energy: -133.680
bonds (distance) P-C4' energy: -115.344
flat angles C4'-P-C4' energy: -146.559
flat angles P-C4'-P energy: -123.479
tors. eta vs tors. theta energy: -215.255
Dist. restrs. and SS energy: 5.135 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -2349.694643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2349.694643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2357.217426 (E_RNA)
where:
Base-Base interactions energy: -1679.602
where: short stacking energy: -691.534
Base-Backbone interact. energy: 1.599
local terms energy: -679.214568
where:
bonds (distance) C4'-P energy: -117.970
bonds (distance) P-C4' energy: -103.331
flat angles C4'-P-C4' energy: -149.150
flat angles P-C4'-P energy: -103.606
tors. eta vs tors. theta energy: -205.158
Dist. restrs. and SS energy: 7.523 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -2263.628595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2263.628595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2281.544334 (E_RNA)
where:
Base-Base interactions energy: -1612.920
where: short stacking energy: -677.156
Base-Backbone interact. energy: -3.905
local terms energy: -664.719481
where:
bonds (distance) C4'-P energy: -98.914
bonds (distance) P-C4' energy: -122.207
flat angles C4'-P-C4' energy: -138.695
flat angles P-C4'-P energy: -95.654
tors. eta vs tors. theta energy: -209.250
Dist. restrs. and SS energy: 17.916 (S_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: 362
Temperature: 1.250000
Total energy: -2171.931476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2171.931476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2188.599619 (E_RNA)
where:
Base-Base interactions energy: -1532.653
where: short stacking energy: -633.700
Base-Backbone interact. energy: 0.633
local terms energy: -656.579828
where:
bonds (distance) C4'-P energy: -114.797
bonds (distance) P-C4' energy: -133.608
flat angles C4'-P-C4' energy: -131.524
flat angles P-C4'-P energy: -88.992
tors. eta vs tors. theta energy: -187.658
Dist. restrs. and SS energy: 16.668 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -2085.044215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2085.044215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2097.279673 (E_RNA)
where:
Base-Base interactions energy: -1515.879
where: short stacking energy: -604.600
Base-Backbone interact. energy: 0.566
local terms energy: -581.966649
where:
bonds (distance) C4'-P energy: -87.408
bonds (distance) P-C4' energy: -124.201
flat angles C4'-P-C4' energy: -132.547
flat angles P-C4'-P energy: -71.892
tors. eta vs tors. theta energy: -165.919
Dist. restrs. and SS energy: 12.235 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -1969.693279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1969.693279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1981.769334 (E_RNA)
where:
Base-Base interactions energy: -1385.515
where: short stacking energy: -573.070
Base-Backbone interact. energy: -1.394
local terms energy: -594.860095
where:
bonds (distance) C4'-P energy: -113.069
bonds (distance) P-C4' energy: -105.570
flat angles C4'-P-C4' energy: -130.568
flat angles P-C4'-P energy: -92.082
tors. eta vs tors. theta energy: -153.571
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: 1, replica: 2
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -2800.601024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2800.601024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2802.690173 (E_RNA)
where:
Base-Base interactions energy: -1967.254
where: short stacking energy: -818.379
Base-Backbone interact. energy: -2.487
local terms energy: -832.949259
where:
bonds (distance) C4'-P energy: -150.728
bonds (distance) P-C4' energy: -153.677
flat angles C4'-P-C4' energy: -166.453
flat angles P-C4'-P energy: -107.594
tors. eta vs tors. theta energy: -254.498
Dist. restrs. and SS energy: 2.089 (S_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: 363
Temperature: 0.950000
Total energy: -2628.548465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2628.548465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2633.359386 (E_RNA)
where:
Base-Base interactions energy: -1858.759
where: short stacking energy: -778.136
Base-Backbone interact. energy: -1.674
local terms energy: -772.925973
where:
bonds (distance) C4'-P energy: -124.258
bonds (distance) P-C4' energy: -132.145
flat angles C4'-P-C4' energy: -169.380
flat angles P-C4'-P energy: -120.415
tors. eta vs tors. theta energy: -226.727
Dist. restrs. and SS energy: 4.811 (S_DIST_RNA)
chem. 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: -2605.286705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2605.286705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2614.279001 (E_RNA)
where:
Base-Base interactions energy: -1824.955
where: short stacking energy: -787.047
Base-Backbone interact. energy: -1.781
local terms energy: -787.543026
where:
bonds (distance) C4'-P energy: -147.964
bonds (distance) P-C4' energy: -152.253
flat angles C4'-P-C4' energy: -152.791
flat angles P-C4'-P energy: -96.995
tors. eta vs tors. theta energy: -237.540
Dist. restrs. and SS energy: 8.992 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -2533.856965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2533.856965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2538.308631 (E_RNA)
where:
Base-Base interactions energy: -1785.260
where: short stacking energy: -766.928
Base-Backbone interact. energy: -2.132
local terms energy: -750.916187
where:
bonds (distance) C4'-P energy: -127.461
bonds (distance) P-C4' energy: -132.224
flat angles C4'-P-C4' energy: -159.061
flat angles P-C4'-P energy: -100.483
tors. eta vs tors. theta energy: -231.687
Dist. restrs. and SS energy: 4.452 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -2432.543541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2432.543541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2437.688807 (E_RNA)
where:
Base-Base interactions energy: -1696.437
where: short stacking energy: -705.069
Base-Backbone interact. energy: 0.342
local terms energy: -741.593531
where:
bonds (distance) C4'-P energy: -131.853
bonds (distance) P-C4' energy: -142.757
flat angles C4'-P-C4' energy: -158.739
flat angles P-C4'-P energy: -107.662
tors. eta vs tors. theta energy: -200.584
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: 6, replica: 1
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -2348.935743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2348.935743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2357.832837 (E_RNA)
where:
Base-Base interactions energy: -1640.659
where: short stacking energy: -682.434
Base-Backbone interact. energy: -6.058
local terms energy: -711.115267
where:
bonds (distance) C4'-P energy: -134.247
bonds (distance) P-C4' energy: -118.880
flat angles C4'-P-C4' energy: -141.482
flat angles P-C4'-P energy: -102.694
tors. eta vs tors. theta energy: -213.813
Dist. restrs. and SS energy: 8.897 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -2321.858264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2321.858264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2326.825949 (E_RNA)
where:
Base-Base interactions energy: -1655.913
where: short stacking energy: -670.747
Base-Backbone interact. energy: -3.519
local terms energy: -667.393956
where:
bonds (distance) C4'-P energy: -113.048
bonds (distance) P-C4' energy: -130.247
flat angles C4'-P-C4' energy: -137.663
flat angles P-C4'-P energy: -80.805
tors. eta vs tors. theta energy: -205.631
Dist. restrs. and SS energy: 4.968 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -2163.881771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2163.881771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2186.208721 (E_RNA)
where:
Base-Base interactions energy: -1512.480
where: short stacking energy: -664.722
Base-Backbone interact. energy: -1.791
local terms energy: -671.937990
where:
bonds (distance) C4'-P energy: -113.491
bonds (distance) P-C4' energy: -128.638
flat angles C4'-P-C4' energy: -143.409
flat angles P-C4'-P energy: -87.906
tors. eta vs tors. theta energy: -198.494
Dist. restrs. and SS energy: 22.327 (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: 9
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -2095.207777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.207777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2100.599641 (E_RNA)
where:
Base-Base interactions energy: -1491.612
where: short stacking energy: -602.077
Base-Backbone interact. energy: -1.493
local terms energy: -607.494891
where:
bonds (distance) C4'-P energy: -112.419
bonds (distance) P-C4' energy: -105.548
flat angles C4'-P-C4' energy: -137.066
flat angles P-C4'-P energy: -80.109
tors. eta vs tors. theta energy: -172.353
Dist. restrs. and SS energy: 5.392 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -1969.314680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1969.314680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1977.884443 (E_RNA)
where:
Base-Base interactions energy: -1422.118
where: short stacking energy: -565.080
Base-Backbone interact. energy: 0.576
local terms energy: -556.342339
where:
bonds (distance) C4'-P energy: -115.840
bonds (distance) P-C4' energy: -90.398
flat angles C4'-P-C4' energy: -118.577
flat angles P-C4'-P energy: -67.835
tors. eta vs tors. theta energy: -163.693
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: 1, replica: 2
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -2792.615669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2792.615669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2795.662067 (E_RNA)
where:
Base-Base interactions energy: -1951.191
where: short stacking energy: -818.583
Base-Backbone interact. energy: -2.558
local terms energy: -841.913345
where:
bonds (distance) C4'-P energy: -147.458
bonds (distance) P-C4' energy: -141.909
flat angles C4'-P-C4' energy: -174.602
flat angles P-C4'-P energy: -121.923
tors. eta vs tors. theta energy: -256.021
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: 8
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -2641.405609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2641.405609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2645.911190 (E_RNA)
where:
Base-Base interactions energy: -1827.952
where: short stacking energy: -794.789
Base-Backbone interact. energy: -2.123
local terms energy: -815.836678
where:
bonds (distance) C4'-P energy: -143.848
bonds (distance) P-C4' energy: -144.398
flat angles C4'-P-C4' energy: -178.446
flat angles P-C4'-P energy: -110.902
tors. eta vs tors. theta energy: -238.243
Dist. restrs. and SS energy: 4.506 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -2630.191056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2630.191056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2633.825221 (E_RNA)
where:
Base-Base interactions energy: -1855.747
where: short stacking energy: -795.793
Base-Backbone interact. energy: -4.174
local terms energy: -773.904496
where:
bonds (distance) C4'-P energy: -128.631
bonds (distance) P-C4' energy: -140.724
flat angles C4'-P-C4' energy: -167.219
flat angles P-C4'-P energy: -105.520
tors. eta vs tors. theta energy: -231.810
Dist. restrs. and SS energy: 3.634 (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: 364
Temperature: 1.050000
Total energy: -2570.992405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2570.992405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2577.792167 (E_RNA)
where:
Base-Base interactions energy: -1817.102
where: short stacking energy: -768.486
Base-Backbone interact. energy: -0.082
local terms energy: -760.608582
where:
bonds (distance) C4'-P energy: -116.710
bonds (distance) P-C4' energy: -138.288
flat angles C4'-P-C4' energy: -160.769
flat angles P-C4'-P energy: -106.468
tors. eta vs tors. theta energy: -238.374
Dist. restrs. and SS energy: 6.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -2379.830491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2379.830491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2389.439819 (E_RNA)
where:
Base-Base interactions energy: -1666.620
where: short stacking energy: -701.251
Base-Backbone interact. energy: 0.157
local terms energy: -722.976616
where:
bonds (distance) C4'-P energy: -130.530
bonds (distance) P-C4' energy: -118.402
flat angles C4'-P-C4' energy: -155.314
flat angles P-C4'-P energy: -110.977
tors. eta vs tors. theta energy: -207.753
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: 6, replica: 3
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -2370.405118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2370.405118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2373.679762 (E_RNA)
where:
Base-Base interactions energy: -1692.108
where: short stacking energy: -696.766
Base-Backbone interact. energy: 0.520
local terms energy: -682.091065
where:
bonds (distance) C4'-P energy: -94.401
bonds (distance) P-C4' energy: -139.496
flat angles C4'-P-C4' energy: -151.166
flat angles P-C4'-P energy: -100.863
tors. eta vs tors. theta energy: -196.165
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: 7, replica: 7
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -2315.944853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2315.944853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2325.563345 (E_RNA)
where:
Base-Base interactions energy: -1636.421
where: short stacking energy: -692.727
Base-Backbone interact. energy: -1.825
local terms energy: -687.316815
where:
bonds (distance) C4'-P energy: -104.584
bonds (distance) P-C4' energy: -134.240
flat angles C4'-P-C4' energy: -139.028
flat angles P-C4'-P energy: -96.293
tors. eta vs tors. theta energy: -213.172
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: 8, replica: 4
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -2176.242066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2176.242066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2195.391481 (E_RNA)
where:
Base-Base interactions energy: -1514.014
where: short stacking energy: -655.165
Base-Backbone interact. energy: -1.886
local terms energy: -679.491860
where:
bonds (distance) C4'-P energy: -110.362
bonds (distance) P-C4' energy: -122.664
flat angles C4'-P-C4' energy: -142.906
flat angles P-C4'-P energy: -99.648
tors. eta vs tors. theta energy: -203.911
Dist. restrs. and SS energy: 19.149 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -2143.491016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2143.491016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2154.158007 (E_RNA)
where:
Base-Base interactions energy: -1526.989
where: short stacking energy: -632.261
Base-Backbone interact. energy: -0.003
local terms energy: -627.166151
where:
bonds (distance) C4'-P energy: -95.232
bonds (distance) P-C4' energy: -130.997
flat angles C4'-P-C4' energy: -134.093
flat angles P-C4'-P energy: -92.457
tors. eta vs tors. theta energy: -174.387
Dist. restrs. and SS energy: 10.667 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -1930.866474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1930.866474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.658733 (E_RNA)
where:
Base-Base interactions energy: -1373.031
where: short stacking energy: -559.578
Base-Backbone interact. energy: 1.337
local terms energy: -569.965050
where:
bonds (distance) C4'-P energy: -114.810
bonds (distance) P-C4' energy: -117.662
flat angles C4'-P-C4' energy: -113.882
flat angles P-C4'-P energy: -70.792
tors. eta vs tors. theta energy: -152.818
Dist. restrs. and SS energy: 10.792 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -2802.687611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2802.687611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2805.191616 (E_RNA)
where:
Base-Base interactions energy: -1973.645
where: short stacking energy: -813.230
Base-Backbone interact. energy: -1.518
local terms energy: -830.029356
where:
bonds (distance) C4'-P energy: -138.752
bonds (distance) P-C4' energy: -148.325
flat angles C4'-P-C4' energy: -175.590
flat angles P-C4'-P energy: -121.674
tors. eta vs tors. theta energy: -245.689
Dist. restrs. and SS energy: 2.504 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -2650.360551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2650.360551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2654.978735 (E_RNA)
where:
Base-Base interactions energy: -1872.750
where: short stacking energy: -809.595
Base-Backbone interact. energy: -3.998
local terms energy: -778.230462
where:
bonds (distance) C4'-P energy: -120.928
bonds (distance) P-C4' energy: -137.570
flat angles C4'-P-C4' energy: -166.547
flat angles P-C4'-P energy: -120.105
tors. eta vs tors. theta energy: -233.080
Dist. restrs. and SS energy: 4.618 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -2591.477387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2591.477387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2595.068911 (E_RNA)
where:
Base-Base interactions energy: -1820.512
where: short stacking energy: -797.572
Base-Backbone interact. energy: -0.240
local terms energy: -774.317219
where:
bonds (distance) C4'-P energy: -124.246
bonds (distance) P-C4' energy: -146.931
flat angles C4'-P-C4' energy: -157.423
flat angles P-C4'-P energy: -106.645
tors. eta vs tors. theta energy: -239.071
Dist. restrs. and SS energy: 3.592 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -2543.853905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2543.853905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2556.084556 (E_RNA)
where:
Base-Base interactions energy: -1829.762
where: short stacking energy: -779.427
Base-Backbone interact. energy: 0.864
local terms energy: -727.186513
where:
bonds (distance) C4'-P energy: -138.362
bonds (distance) P-C4' energy: -120.927
flat angles C4'-P-C4' energy: -154.468
flat angles P-C4'-P energy: -89.920
tors. eta vs tors. theta energy: -223.509
Dist. restrs. and SS energy: 12.231 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -2390.047518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2390.047518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2400.275521 (E_RNA)
where:
Base-Base interactions energy: -1652.864
where: short stacking energy: -703.098
Base-Backbone interact. energy: -4.050
local terms energy: -743.362085
where:
bonds (distance) C4'-P energy: -138.287
bonds (distance) P-C4' energy: -131.010
flat angles C4'-P-C4' energy: -157.752
flat angles P-C4'-P energy: -106.033
tors. eta vs tors. theta energy: -210.281
Dist. restrs. and SS energy: 10.228 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -2389.679804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2389.679804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2396.458948 (E_RNA)
where:
Base-Base interactions energy: -1693.257
where: short stacking energy: -703.453
Base-Backbone interact. energy: 0.859
local terms energy: -704.060845
where:
bonds (distance) C4'-P energy: -124.534
bonds (distance) P-C4' energy: -137.072
flat angles C4'-P-C4' energy: -143.674
flat angles P-C4'-P energy: -92.911
tors. eta vs tors. theta energy: -205.869
Dist. restrs. and SS energy: 6.779 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -2320.482038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2320.482038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2326.091390 (E_RNA)
where:
Base-Base interactions energy: -1653.479
where: short stacking energy: -693.686
Base-Backbone interact. energy: 2.125
local terms energy: -674.737277
where:
bonds (distance) C4'-P energy: -122.072
bonds (distance) P-C4' energy: -127.665
flat angles C4'-P-C4' energy: -122.824
flat angles P-C4'-P energy: -91.617
tors. eta vs tors. theta energy: -210.559
Dist. restrs. and SS energy: 5.609 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -2174.880913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2174.880913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2188.303534 (E_RNA)
where:
Base-Base interactions energy: -1522.504
where: short stacking energy: -649.100
Base-Backbone interact. energy: 1.609
local terms energy: -667.409043
where:
bonds (distance) C4'-P energy: -107.100
bonds (distance) P-C4' energy: -116.519
flat angles C4'-P-C4' energy: -149.742
flat angles P-C4'-P energy: -101.095
tors. eta vs tors. theta energy: -192.953
Dist. restrs. and SS energy: 13.423 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -2093.865337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2093.865337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2108.505235 (E_RNA)
where:
Base-Base interactions energy: -1466.076
where: short stacking energy: -608.558
Base-Backbone interact. energy: 5.563
local terms energy: -647.992662
where:
bonds (distance) C4'-P energy: -113.294
bonds (distance) P-C4' energy: -130.525
flat angles C4'-P-C4' energy: -138.755
flat angles P-C4'-P energy: -86.127
tors. eta vs tors. theta energy: -179.292
Dist. restrs. and SS energy: 14.640 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -2003.120784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2003.120784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2028.275914 (E_RNA)
where:
Base-Base interactions energy: -1404.297
where: short stacking energy: -569.410
Base-Backbone interact. energy: 3.271
local terms energy: -627.249833
where:
bonds (distance) C4'-P energy: -128.710
bonds (distance) P-C4' energy: -110.747
flat angles C4'-P-C4' energy: -127.493
flat angles P-C4'-P energy: -88.798
tors. eta vs tors. theta energy: -171.502
Dist. restrs. and SS energy: 25.155 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -2804.247842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2804.247842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2807.987557 (E_RNA)
where:
Base-Base interactions energy: -1956.927
where: short stacking energy: -821.154
Base-Backbone interact. energy: -0.692
local terms energy: -850.368851
where:
bonds (distance) C4'-P energy: -153.299
bonds (distance) P-C4' energy: -150.846
flat angles C4'-P-C4' energy: -169.583
flat angles P-C4'-P energy: -123.659
tors. eta vs tors. theta energy: -252.982
Dist. restrs. and SS energy: 3.740 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -2657.142685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2657.142685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2661.597199 (E_RNA)
where:
Base-Base interactions energy: -1863.709
where: short stacking energy: -768.056
Base-Backbone interact. energy: 3.798
local terms energy: -801.686665
where:
bonds (distance) C4'-P energy: -138.352
bonds (distance) P-C4' energy: -147.831
flat angles C4'-P-C4' energy: -172.046
flat angles P-C4'-P energy: -113.126
tors. eta vs tors. theta energy: -230.331
Dist. restrs. and SS energy: 4.455 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -2599.524204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2599.524204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2612.041125 (E_RNA)
where:
Base-Base interactions energy: -1858.706
where: short stacking energy: -788.827
Base-Backbone interact. energy: -1.648
local terms energy: -751.687385
where:
bonds (distance) C4'-P energy: -143.829
bonds (distance) P-C4' energy: -124.179
flat angles C4'-P-C4' energy: -158.665
flat angles P-C4'-P energy: -96.926
tors. eta vs tors. theta energy: -228.088
Dist. restrs. and SS energy: 12.517 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -2567.044762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2567.044762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2572.225108 (E_RNA)
where:
Base-Base interactions energy: -1816.043
where: short stacking energy: -778.997
Base-Backbone interact. energy: -4.724
local terms energy: -751.458450
where:
bonds (distance) C4'-P energy: -121.119
bonds (distance) P-C4' energy: -129.866
flat angles C4'-P-C4' energy: -167.454
flat angles P-C4'-P energy: -101.816
tors. eta vs tors. theta energy: -231.204
Dist. restrs. and SS energy: 5.180 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -2456.441903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2456.441903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2462.120207 (E_RNA)
where:
Base-Base interactions energy: -1735.857
where: short stacking energy: -744.633
Base-Backbone interact. energy: -3.419
local terms energy: -722.844028
where:
bonds (distance) C4'-P energy: -110.554
bonds (distance) P-C4' energy: -135.166
flat angles C4'-P-C4' energy: -143.127
flat angles P-C4'-P energy: -122.946
tors. eta vs tors. theta energy: -211.052
Dist. restrs. and SS energy: 5.678 (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: 1
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -2386.287215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2386.287215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2391.389369 (E_RNA)
where:
Base-Base interactions energy: -1689.839
where: short stacking energy: -717.507
Base-Backbone interact. energy: -2.412
local terms energy: -699.137828
where:
bonds (distance) C4'-P energy: -110.608
bonds (distance) P-C4' energy: -126.983
flat angles C4'-P-C4' energy: -161.007
flat angles P-C4'-P energy: -95.480
tors. eta vs tors. theta energy: -205.060
Dist. restrs. and SS energy: 5.102 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -2326.753917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2326.753917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2334.326003 (E_RNA)
where:
Base-Base interactions energy: -1646.152
where: short stacking energy: -676.605
Base-Backbone interact. energy: -1.113
local terms energy: -687.060647
where:
bonds (distance) C4'-P energy: -122.318
bonds (distance) P-C4' energy: -123.554
flat angles C4'-P-C4' energy: -145.887
flat angles P-C4'-P energy: -96.751
tors. eta vs tors. theta energy: -198.551
Dist. restrs. and SS energy: 7.572 (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: 4
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -2140.185616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2140.185616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2157.348903 (E_RNA)
where:
Base-Base interactions energy: -1552.702
where: short stacking energy: -644.375
Base-Backbone interact. energy: 0.400
local terms energy: -605.047397
where:
bonds (distance) C4'-P energy: -105.629
bonds (distance) P-C4' energy: -99.906
flat angles C4'-P-C4' energy: -144.536
flat angles P-C4'-P energy: -79.676
tors. eta vs tors. theta energy: -175.300
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: 6
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -2048.697102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2048.697102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2058.279404 (E_RNA)
where:
Base-Base interactions energy: -1488.512
where: short stacking energy: -595.565
Base-Backbone interact. energy: 4.216
local terms energy: -573.983458
where:
bonds (distance) C4'-P energy: -86.578
bonds (distance) P-C4' energy: -101.722
flat angles C4'-P-C4' energy: -135.738
flat angles P-C4'-P energy: -79.156
tors. eta vs tors. theta energy: -170.789
Dist. restrs. and SS energy: 9.582 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -1985.179659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1985.179659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1997.478560 (E_RNA)
where:
Base-Base interactions energy: -1422.371
where: short stacking energy: -579.099
Base-Backbone interact. energy: 0.549
local terms energy: -575.656952
where:
bonds (distance) C4'-P energy: -106.718
bonds (distance) P-C4' energy: -104.867
flat angles C4'-P-C4' energy: -118.137
flat angles P-C4'-P energy: -78.068
tors. eta vs tors. theta energy: -167.868
Dist. restrs. and SS energy: 12.299 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -2816.337843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2816.337843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2820.187052 (E_RNA)
where:
Base-Base interactions energy: -1979.554
where: short stacking energy: -857.943
Base-Backbone interact. energy: -3.053
local terms energy: -837.579539
where:
bonds (distance) C4'-P energy: -129.948
bonds (distance) P-C4' energy: -142.136
flat angles C4'-P-C4' energy: -177.270
flat angles P-C4'-P energy: -126.847
tors. eta vs tors. theta energy: -261.378
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: 2, replica: 10
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -2646.116282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2646.116282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2654.125766 (E_RNA)
where:
Base-Base interactions energy: -1867.974
where: short stacking energy: -776.622
Base-Backbone interact. energy: -2.885
local terms energy: -783.267465
where:
bonds (distance) C4'-P energy: -138.069
bonds (distance) P-C4' energy: -149.225
flat angles C4'-P-C4' energy: -171.662
flat angles P-C4'-P energy: -104.639
tors. eta vs tors. theta energy: -219.672
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: 3, replica: 5
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -2601.412457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2601.412457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2605.759010 (E_RNA)
where:
Base-Base interactions energy: -1826.204
where: short stacking energy: -750.215
Base-Backbone interact. energy: -2.374
local terms energy: -777.181296
where:
bonds (distance) C4'-P energy: -135.825
bonds (distance) P-C4' energy: -149.627
flat angles C4'-P-C4' energy: -166.902
flat angles P-C4'-P energy: -98.022
tors. eta vs tors. theta energy: -226.805
Dist. restrs. and SS energy: 4.347 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -2550.188018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2550.188018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2555.139853 (E_RNA)
where:
Base-Base interactions energy: -1782.802
where: short stacking energy: -761.282
Base-Backbone interact. energy: -1.935
local terms energy: -770.403078
where:
bonds (distance) C4'-P energy: -140.016
bonds (distance) P-C4' energy: -133.902
flat angles C4'-P-C4' energy: -157.247
flat angles P-C4'-P energy: -105.874
tors. eta vs tors. theta energy: -233.364
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: 5, replica: 3
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -2469.665562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2469.665562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2474.343573 (E_RNA)
where:
Base-Base interactions energy: -1736.683
where: short stacking energy: -729.465
Base-Backbone interact. energy: -0.141
local terms energy: -737.519583
where:
bonds (distance) C4'-P energy: -137.143
bonds (distance) P-C4' energy: -121.848
flat angles C4'-P-C4' energy: -151.845
flat angles P-C4'-P energy: -107.745
tors. eta vs tors. theta energy: -218.939
Dist. restrs. and SS energy: 4.678 (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: 7
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -2397.938701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2397.938701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2406.482904 (E_RNA)
where:
Base-Base interactions energy: -1707.514
where: short stacking energy: -708.694
Base-Backbone interact. energy: -3.232
local terms energy: -695.736016
where:
bonds (distance) C4'-P energy: -135.144
bonds (distance) P-C4' energy: -110.469
flat angles C4'-P-C4' energy: -149.523
flat angles P-C4'-P energy: -91.594
tors. eta vs tors. theta energy: -209.006
Dist. restrs. and SS energy: 8.544 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -2302.432250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2302.432250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2313.263532 (E_RNA)
where:
Base-Base interactions energy: -1666.592
where: short stacking energy: -704.240
Base-Backbone interact. energy: -6.803
local terms energy: -639.868486
where:
bonds (distance) C4'-P energy: -111.691
bonds (distance) P-C4' energy: -98.963
flat angles C4'-P-C4' energy: -147.252
flat angles P-C4'-P energy: -77.518
tors. eta vs tors. theta energy: -204.443
Dist. restrs. and SS energy: 10.831 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -2110.867353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2110.867353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2125.433473 (E_RNA)
where:
Base-Base interactions energy: -1502.084
where: short stacking energy: -610.142
Base-Backbone interact. energy: 3.750
local terms energy: -627.099651
where:
bonds (distance) C4'-P energy: -114.373
bonds (distance) P-C4' energy: -114.394
flat angles C4'-P-C4' energy: -139.502
flat angles P-C4'-P energy: -87.730
tors. eta vs tors. theta energy: -171.100
Dist. restrs. and SS energy: 14.566 (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: 4
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -2119.558995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2119.558995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2140.493236 (E_RNA)
where:
Base-Base interactions energy: -1467.083
where: short stacking energy: -614.476
Base-Backbone interact. energy: 1.659
local terms energy: -675.069300
where:
bonds (distance) C4'-P energy: -110.881
bonds (distance) P-C4' energy: -128.741
flat angles C4'-P-C4' energy: -136.014
flat angles P-C4'-P energy: -105.354
tors. eta vs tors. theta energy: -194.080
Dist. restrs. and SS energy: 20.934 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -2011.646807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2011.646807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.967035 (E_RNA)
where:
Base-Base interactions energy: -1415.602
where: short stacking energy: -600.616
Base-Backbone interact. energy: 0.721
local terms energy: -611.086543
where:
bonds (distance) C4'-P energy: -105.629
bonds (distance) P-C4' energy: -108.416
flat angles C4'-P-C4' energy: -136.593
flat angles P-C4'-P energy: -96.578
tors. eta vs tors. theta energy: -163.871
Dist. restrs. and SS energy: 14.320 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -2815.591238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2815.591238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2819.625011 (E_RNA)
where:
Base-Base interactions energy: -1977.564
where: short stacking energy: -829.706
Base-Backbone interact. energy: 2.528
local terms energy: -844.588762
where:
bonds (distance) C4'-P energy: -149.674
bonds (distance) P-C4' energy: -145.885
flat angles C4'-P-C4' energy: -177.553
flat angles P-C4'-P energy: -117.920
tors. eta vs tors. theta energy: -253.556
Dist. restrs. and SS energy: 4.034 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -2691.165981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2691.165981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2701.561846 (E_RNA)
where:
Base-Base interactions energy: -1921.541
where: short stacking energy: -781.926
Base-Backbone interact. energy: -3.398
local terms energy: -776.622768
where:
bonds (distance) C4'-P energy: -131.456
bonds (distance) P-C4' energy: -143.988
flat angles C4'-P-C4' energy: -167.338
flat angles P-C4'-P energy: -106.513
tors. eta vs tors. theta energy: -227.328
Dist. restrs. and SS energy: 10.396 (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: 5
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -2593.591544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2593.591544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2598.322862 (E_RNA)
where:
Base-Base interactions energy: -1828.551
where: short stacking energy: -766.805
Base-Backbone interact. energy: -2.451
local terms energy: -767.321493
where:
bonds (distance) C4'-P energy: -162.669
bonds (distance) P-C4' energy: -128.775
flat angles C4'-P-C4' energy: -163.574
flat angles P-C4'-P energy: -93.032
tors. eta vs tors. theta energy: -219.271
Dist. restrs. and SS energy: 4.731 (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: 8
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -2560.430069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2560.430069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2563.142302 (E_RNA)
where:
Base-Base interactions energy: -1801.221
where: short stacking energy: -779.522
Base-Backbone interact. energy: -2.074
local terms energy: -759.846902
where:
bonds (distance) C4'-P energy: -131.159
bonds (distance) P-C4' energy: -127.608
flat angles C4'-P-C4' energy: -160.897
flat angles P-C4'-P energy: -103.284
tors. eta vs tors. theta energy: -236.899
Dist. restrs. and SS energy: 2.712 (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: 3
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -2488.222945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2488.222945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2497.990801 (E_RNA)
where:
Base-Base interactions energy: -1710.107
where: short stacking energy: -748.005
Base-Backbone interact. energy: 1.073
local terms energy: -788.956571
where:
bonds (distance) C4'-P energy: -130.504
bonds (distance) P-C4' energy: -155.249
flat angles C4'-P-C4' energy: -162.418
flat angles P-C4'-P energy: -107.371
tors. eta vs tors. theta energy: -233.415
Dist. restrs. and SS energy: 9.768 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -2381.456019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2381.456019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2388.886126 (E_RNA)
where:
Base-Base interactions energy: -1668.308
where: short stacking energy: -706.817
Base-Backbone interact. energy: 1.408
local terms energy: -721.986445
where:
bonds (distance) C4'-P energy: -129.952
bonds (distance) P-C4' energy: -129.862
flat angles C4'-P-C4' energy: -163.642
flat angles P-C4'-P energy: -90.756
tors. eta vs tors. theta energy: -207.775
Dist. restrs. and SS energy: 7.430 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -2319.076014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2319.076014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2331.084315 (E_RNA)
where:
Base-Base interactions energy: -1623.230
where: short stacking energy: -706.820
Base-Backbone interact. energy: -0.747
local terms energy: -707.107030
where:
bonds (distance) C4'-P energy: -120.532
bonds (distance) P-C4' energy: -118.047
flat angles C4'-P-C4' energy: -161.547
flat angles P-C4'-P energy: -103.385
tors. eta vs tors. theta energy: -203.596
Dist. restrs. and SS energy: 12.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -2161.705934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2161.705934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2169.930225 (E_RNA)
where:
Base-Base interactions energy: -1521.090
where: short stacking energy: -609.597
Base-Backbone interact. energy: -1.609
local terms energy: -647.231585
where:
bonds (distance) C4'-P energy: -129.873
bonds (distance) P-C4' energy: -122.735
flat angles C4'-P-C4' energy: -135.332
flat angles P-C4'-P energy: -75.108
tors. eta vs tors. theta energy: -184.185
Dist. restrs. and SS energy: 8.224 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -2092.859435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2092.859435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2111.442300 (E_RNA)
where:
Base-Base interactions energy: -1475.157
where: short stacking energy: -626.961
Base-Backbone interact. energy: 2.917
local terms energy: -639.202652
where:
bonds (distance) C4'-P energy: -124.932
bonds (distance) P-C4' energy: -129.123
flat angles C4'-P-C4' energy: -133.595
flat angles P-C4'-P energy: -66.561
tors. eta vs tors. theta energy: -184.992
Dist. restrs. and SS energy: 18.583 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -1972.991315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.991315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1986.875605 (E_RNA)
where:
Base-Base interactions energy: -1397.119
where: short stacking energy: -571.702
Base-Backbone interact. energy: -0.928
local terms energy: -588.829225
where:
bonds (distance) C4'-P energy: -116.504
bonds (distance) P-C4' energy: -101.040
flat angles C4'-P-C4' energy: -132.664
flat angles P-C4'-P energy: -84.223
tors. eta vs tors. theta energy: -154.398
Dist. restrs. and SS energy: 13.884 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -2835.797290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2835.797290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2840.310222 (E_RNA)
where:
Base-Base interactions energy: -1968.048
where: short stacking energy: -835.450
Base-Backbone interact. energy: -2.115
local terms energy: -870.146714
where:
bonds (distance) C4'-P energy: -153.732
bonds (distance) P-C4' energy: -151.250
flat angles C4'-P-C4' energy: -181.683
flat angles P-C4'-P energy: -125.352
tors. eta vs tors. theta energy: -258.130
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: 2, replica: 10
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -2691.020007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2691.020007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2697.214562 (E_RNA)
where:
Base-Base interactions energy: -1935.090
where: short stacking energy: -810.742
Base-Backbone interact. energy: -3.031
local terms energy: -759.093100
where:
bonds (distance) C4'-P energy: -139.237
bonds (distance) P-C4' energy: -132.316
flat angles C4'-P-C4' energy: -151.317
flat angles P-C4'-P energy: -105.893
tors. eta vs tors. theta energy: -230.330
Dist. restrs. and SS energy: 6.195 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -2619.222933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2619.222933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2623.604189 (E_RNA)
where:
Base-Base interactions energy: -1834.000
where: short stacking energy: -776.490
Base-Backbone interact. energy: 1.979
local terms energy: -791.583128
where:
bonds (distance) C4'-P energy: -141.219
bonds (distance) P-C4' energy: -140.737
flat angles C4'-P-C4' energy: -163.689
flat angles P-C4'-P energy: -115.771
tors. eta vs tors. theta energy: -230.166
Dist. restrs. and SS energy: 4.381 (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: 369
Temperature: 1.050000
Total energy: -2575.752830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2575.752830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2580.187487 (E_RNA)
where:
Base-Base interactions energy: -1792.094
where: short stacking energy: -756.393
Base-Backbone interact. energy: -1.370
local terms energy: -786.723507
where:
bonds (distance) C4'-P energy: -122.994
bonds (distance) P-C4' energy: -141.943
flat angles C4'-P-C4' energy: -171.355
flat angles P-C4'-P energy: -123.332
tors. eta vs tors. theta energy: -227.100
Dist. restrs. and SS energy: 4.435 (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: 3
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -2467.701322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2467.701322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2473.311697 (E_RNA)
where:
Base-Base interactions energy: -1735.729
where: short stacking energy: -752.508
Base-Backbone interact. energy: -3.055
local terms energy: -734.527469
where:
bonds (distance) C4'-P energy: -116.622
bonds (distance) P-C4' energy: -143.517
flat angles C4'-P-C4' energy: -169.827
flat angles P-C4'-P energy: -88.868
tors. eta vs tors. theta energy: -215.693
Dist. restrs. and SS energy: 5.610 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -2344.100078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2344.100078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2351.361542 (E_RNA)
where:
Base-Base interactions energy: -1656.603
where: short stacking energy: -716.776
Base-Backbone interact. energy: -7.189
local terms energy: -687.569326
where:
bonds (distance) C4'-P energy: -124.287
bonds (distance) P-C4' energy: -119.921
flat angles C4'-P-C4' energy: -139.475
flat angles P-C4'-P energy: -101.968
tors. eta vs tors. theta energy: -201.918
Dist. restrs. and SS energy: 7.261 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -2300.568909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2300.568909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2305.131832 (E_RNA)
where:
Base-Base interactions energy: -1617.984
where: short stacking energy: -673.085
Base-Backbone interact. energy: -1.444
local terms energy: -685.703257
where:
bonds (distance) C4'-P energy: -122.881
bonds (distance) P-C4' energy: -127.626
flat angles C4'-P-C4' energy: -140.003
flat angles P-C4'-P energy: -104.349
tors. eta vs tors. theta energy: -190.845
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: 8, replica: 4
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -2142.846005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2142.846005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2161.712484 (E_RNA)
where:
Base-Base interactions energy: -1509.645
where: short stacking energy: -634.563
Base-Backbone interact. energy: 6.073
local terms energy: -658.140172
where:
bonds (distance) C4'-P energy: -119.409
bonds (distance) P-C4' energy: -115.973
flat angles C4'-P-C4' energy: -142.188
flat angles P-C4'-P energy: -94.548
tors. eta vs tors. theta energy: -186.021
Dist. restrs. and SS energy: 18.866 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -2055.033368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2055.033368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2066.252490 (E_RNA)
where:
Base-Base interactions energy: -1445.118
where: short stacking energy: -570.996
Base-Backbone interact. energy: -0.252
local terms energy: -620.882602
where:
bonds (distance) C4'-P energy: -119.163
bonds (distance) P-C4' energy: -111.802
flat angles C4'-P-C4' energy: -139.772
flat angles P-C4'-P energy: -90.592
tors. eta vs tors. theta energy: -159.553
Dist. restrs. and SS energy: 11.219 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -1990.474567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1990.474567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2010.718586 (E_RNA)
where:
Base-Base interactions energy: -1396.724
where: short stacking energy: -590.842
Base-Backbone interact. energy: -1.554
local terms energy: -612.440913
where:
bonds (distance) C4'-P energy: -97.102
bonds (distance) P-C4' energy: -118.092
flat angles C4'-P-C4' energy: -129.600
flat angles P-C4'-P energy: -89.104
tors. eta vs tors. theta energy: -178.543
Dist. restrs. and SS energy: 20.244 (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: 370
Temperature: 0.900000
Total energy: -2788.782128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2788.782128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2792.221987 (E_RNA)
where:
Base-Base interactions energy: -1943.285
where: short stacking energy: -834.075
Base-Backbone interact. energy: -1.068
local terms energy: -847.869144
where:
bonds (distance) C4'-P energy: -135.493
bonds (distance) P-C4' energy: -154.482
flat angles C4'-P-C4' energy: -181.733
flat angles P-C4'-P energy: -122.909
tors. eta vs tors. theta energy: -253.252
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: 2, replica: 10
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -2693.433182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2693.433182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2701.400029 (E_RNA)
where:
Base-Base interactions energy: -1925.109
where: short stacking energy: -773.776
Base-Backbone interact. energy: -5.647
local terms energy: -770.644083
where:
bonds (distance) C4'-P energy: -133.721
bonds (distance) P-C4' energy: -141.787
flat angles C4'-P-C4' energy: -146.558
flat angles P-C4'-P energy: -120.069
tors. eta vs tors. theta energy: -228.509
Dist. restrs. and SS energy: 7.967 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -2594.067152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2594.067152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2597.915720 (E_RNA)
where:
Base-Base interactions energy: -1820.525
where: short stacking energy: -783.402
Base-Backbone interact. energy: -1.408
local terms energy: -775.982525
where:
bonds (distance) C4'-P energy: -137.790
bonds (distance) P-C4' energy: -139.655
flat angles C4'-P-C4' energy: -162.482
flat angles P-C4'-P energy: -103.313
tors. eta vs tors. theta energy: -232.743
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: 4, replica: 8
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -2520.675258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2520.675258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2522.734307 (E_RNA)
where:
Base-Base interactions energy: -1755.687
where: short stacking energy: -740.708
Base-Backbone interact. energy: -4.345
local terms energy: -762.702723
where:
bonds (distance) C4'-P energy: -133.917
bonds (distance) P-C4' energy: -139.438
flat angles C4'-P-C4' energy: -161.895
flat angles P-C4'-P energy: -103.886
tors. eta vs tors. theta energy: -223.566
Dist. restrs. and SS energy: 2.059 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -2498.477203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2498.477203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2504.441885 (E_RNA)
where:
Base-Base interactions energy: -1727.306
where: short stacking energy: -721.259
Base-Backbone interact. energy: -2.053
local terms energy: -775.083597
where:
bonds (distance) C4'-P energy: -136.092
bonds (distance) P-C4' energy: -122.900
flat angles C4'-P-C4' energy: -169.702
flat angles P-C4'-P energy: -126.652
tors. eta vs tors. theta energy: -219.738
Dist. restrs. and SS energy: 5.965 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -2352.928977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2352.928977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2369.180436 (E_RNA)
where:
Base-Base interactions energy: -1622.765
where: short stacking energy: -695.050
Base-Backbone interact. energy: -3.372
local terms energy: -743.043145
where:
bonds (distance) C4'-P energy: -133.364
bonds (distance) P-C4' energy: -146.279
flat angles C4'-P-C4' energy: -141.046
flat angles P-C4'-P energy: -105.366
tors. eta vs tors. theta energy: -216.988
Dist. restrs. and SS energy: 16.251 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -2326.297884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2326.297884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2336.081208 (E_RNA)
where:
Base-Base interactions energy: -1646.174
where: short stacking energy: -693.797
Base-Backbone interact. energy: -3.182
local terms energy: -686.725957
where:
bonds (distance) C4'-P energy: -125.053
bonds (distance) P-C4' energy: -123.329
flat angles C4'-P-C4' energy: -136.045
flat angles P-C4'-P energy: -92.713
tors. eta vs tors. theta energy: -209.586
Dist. restrs. and SS energy: 9.783 (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: 4
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -2215.639708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2215.639708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2231.112893 (E_RNA)
where:
Base-Base interactions energy: -1549.281
where: short stacking energy: -648.895
Base-Backbone interact. energy: 4.639
local terms energy: -686.470725
where:
bonds (distance) C4'-P energy: -115.109
bonds (distance) P-C4' energy: -121.705
flat angles C4'-P-C4' energy: -153.188
flat angles P-C4'-P energy: -96.586
tors. eta vs tors. theta energy: -199.882
Dist. restrs. and SS energy: 15.473 (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: 6
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -2005.577048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2005.577048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.235986 (E_RNA)
where:
Base-Base interactions energy: -1436.750
where: short stacking energy: -599.992
Base-Backbone interact. energy: -2.500
local terms energy: -585.985681
where:
bonds (distance) C4'-P energy: -98.898
bonds (distance) P-C4' energy: -110.584
flat angles C4'-P-C4' energy: -130.951
flat angles P-C4'-P energy: -88.265
tors. eta vs tors. theta energy: -157.288
Dist. restrs. and SS energy: 19.659 (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: 9
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -1978.348607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1978.348607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.037922 (E_RNA)
where:
Base-Base interactions energy: -1401.068
where: short stacking energy: -569.790
Base-Backbone interact. energy: 1.578
local terms energy: -591.547979
where:
bonds (distance) C4'-P energy: -87.132
bonds (distance) P-C4' energy: -122.204
flat angles C4'-P-C4' energy: -143.343
flat angles P-C4'-P energy: -76.914
tors. eta vs tors. theta energy: -161.955
Dist. restrs. and SS energy: 12.689 (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: 2
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -2830.324453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2830.324453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2832.183385 (E_RNA)
where:
Base-Base interactions energy: -2008.508
where: short stacking energy: -857.599
Base-Backbone interact. energy: -0.927
local terms energy: -822.748740
where:
bonds (distance) C4'-P energy: -147.745
bonds (distance) P-C4' energy: -135.922
flat angles C4'-P-C4' energy: -170.666
flat angles P-C4'-P energy: -112.992
tors. eta vs tors. theta energy: -255.424
Dist. restrs. and SS energy: 1.859 (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: 5
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -2641.167770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2641.167770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2645.708816 (E_RNA)
where:
Base-Base interactions energy: -1852.661
where: short stacking energy: -791.303
Base-Backbone interact. energy: -4.765
local terms energy: -788.282409
where:
bonds (distance) C4'-P energy: -128.488
bonds (distance) P-C4' energy: -136.039
flat angles C4'-P-C4' energy: -168.019
flat angles P-C4'-P energy: -124.203
tors. eta vs tors. theta energy: -231.533
Dist. restrs. and SS energy: 4.541 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -2618.356230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2618.356230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2626.416391 (E_RNA)
where:
Base-Base interactions energy: -1867.222
where: short stacking energy: -792.706
Base-Backbone interact. energy: -3.288
local terms energy: -755.905806
where:
bonds (distance) C4'-P energy: -132.954
bonds (distance) P-C4' energy: -121.336
flat angles C4'-P-C4' energy: -164.391
flat angles P-C4'-P energy: -106.327
tors. eta vs tors. theta energy: -230.897
Dist. restrs. and SS energy: 8.060 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -2515.145129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2515.145129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2518.943424 (E_RNA)
where:
Base-Base interactions energy: -1756.632
where: short stacking energy: -740.579
Base-Backbone interact. energy: -2.314
local terms energy: -759.997744
where:
bonds (distance) C4'-P energy: -137.441
bonds (distance) P-C4' energy: -126.318
flat angles C4'-P-C4' energy: -162.447
flat angles P-C4'-P energy: -112.319
tors. eta vs tors. theta energy: -221.473
Dist. restrs. and SS energy: 3.798 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -2434.387087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2434.387087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2439.130535 (E_RNA)
where:
Base-Base interactions energy: -1707.707
where: short stacking energy: -717.391
Base-Backbone interact. energy: 1.758
local terms energy: -733.181068
where:
bonds (distance) C4'-P energy: -105.633
bonds (distance) P-C4' energy: -134.134
flat angles C4'-P-C4' energy: -157.810
flat angles P-C4'-P energy: -118.601
tors. eta vs tors. theta energy: -217.002
Dist. restrs. and SS energy: 4.743 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -2385.418626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2385.418626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2396.225664 (E_RNA)
where:
Base-Base interactions energy: -1704.283
where: short stacking energy: -714.516
Base-Backbone interact. energy: -2.843
local terms energy: -689.099292
where:
bonds (distance) C4'-P energy: -111.302
bonds (distance) P-C4' energy: -124.235
flat angles C4'-P-C4' energy: -151.310
flat angles P-C4'-P energy: -84.014
tors. eta vs tors. theta energy: -218.238
Dist. restrs. and SS energy: 10.807 (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: 1
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -2286.212794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2286.212794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2298.045083 (E_RNA)
where:
Base-Base interactions energy: -1638.014
where: short stacking energy: -653.188
Base-Backbone interact. energy: 6.062
local terms energy: -666.092687
where:
bonds (distance) C4'-P energy: -126.559
bonds (distance) P-C4' energy: -109.032
flat angles C4'-P-C4' energy: -146.095
flat angles P-C4'-P energy: -88.872
tors. eta vs tors. theta energy: -195.535
Dist. restrs. and SS energy: 11.832 (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: 4
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -2180.534192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2180.534192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2198.206568 (E_RNA)
where:
Base-Base interactions energy: -1545.273
where: short stacking energy: -658.965
Base-Backbone interact. energy: -0.131
local terms energy: -652.802292
where:
bonds (distance) C4'-P energy: -103.723
bonds (distance) P-C4' energy: -108.170
flat angles C4'-P-C4' energy: -150.520
flat angles P-C4'-P energy: -86.954
tors. eta vs tors. theta energy: -203.436
Dist. restrs. and SS energy: 17.672 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -1998.090899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1998.090899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2010.370338 (E_RNA)
where:
Base-Base interactions energy: -1410.725
where: short stacking energy: -548.095
Base-Backbone interact. energy: -2.512
local terms energy: -597.133235
where:
bonds (distance) C4'-P energy: -106.207
bonds (distance) P-C4' energy: -122.620
flat angles C4'-P-C4' energy: -129.585
flat angles P-C4'-P energy: -86.429
tors. eta vs tors. theta energy: -152.293
Dist. restrs. and SS energy: 12.279 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -2059.706753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2059.706753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2075.584733 (E_RNA)
where:
Base-Base interactions energy: -1480.570
where: short stacking energy: -612.164
Base-Backbone interact. energy: -1.327
local terms energy: -593.687976
where:
bonds (distance) C4'-P energy: -128.260
bonds (distance) P-C4' energy: -112.874
flat angles C4'-P-C4' energy: -122.838
flat angles P-C4'-P energy: -66.057
tors. eta vs tors. theta energy: -163.659
Dist. restrs. and SS energy: 15.878 (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: 2
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -2789.346436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2789.346436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2792.165405 (E_RNA)
where:
Base-Base interactions energy: -1934.594
where: short stacking energy: -827.447
Base-Backbone interact. energy: -2.634
local terms energy: -854.937785
where:
bonds (distance) C4'-P energy: -136.153
bonds (distance) P-C4' energy: -156.256
flat angles C4'-P-C4' energy: -173.495
flat angles P-C4'-P energy: -133.657
tors. eta vs tors. theta energy: -255.377
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: 5
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -2628.839724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2628.839724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2632.248166 (E_RNA)
where:
Base-Base interactions energy: -1846.291
where: short stacking energy: -803.567
Base-Backbone interact. energy: -2.150
local terms energy: -783.807066
where:
bonds (distance) C4'-P energy: -142.123
bonds (distance) P-C4' energy: -149.777
flat angles C4'-P-C4' energy: -157.734
flat angles P-C4'-P energy: -105.421
tors. eta vs tors. theta energy: -228.753
Dist. restrs. and SS energy: 3.408 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -2639.967627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2639.967627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2647.306615 (E_RNA)
where:
Base-Base interactions energy: -1842.546
where: short stacking energy: -788.789
Base-Backbone interact. energy: 0.647
local terms energy: -805.407345
where:
bonds (distance) C4'-P energy: -151.570
bonds (distance) P-C4' energy: -134.809
flat angles C4'-P-C4' energy: -167.312
flat angles P-C4'-P energy: -111.790
tors. eta vs tors. theta energy: -239.926
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: 4, replica: 8
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -2543.624259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2543.624259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2547.544052 (E_RNA)
where:
Base-Base interactions energy: -1778.554
where: short stacking energy: -764.763
Base-Backbone interact. energy: 0.321
local terms energy: -769.311382
where:
bonds (distance) C4'-P energy: -147.361
bonds (distance) P-C4' energy: -133.270
flat angles C4'-P-C4' energy: -156.431
flat angles P-C4'-P energy: -102.212
tors. eta vs tors. theta energy: -230.036
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: 5, replica: 7
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -2455.478559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2455.478559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2462.595846 (E_RNA)
where:
Base-Base interactions energy: -1713.103
where: short stacking energy: -720.448
Base-Backbone interact. energy: -1.809
local terms energy: -747.683742
where:
bonds (distance) C4'-P energy: -133.833
bonds (distance) P-C4' energy: -125.411
flat angles C4'-P-C4' energy: -153.619
flat angles P-C4'-P energy: -107.791
tors. eta vs tors. theta energy: -227.029
Dist. restrs. and SS energy: 7.117 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -2388.132653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2388.132653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2395.448622 (E_RNA)
where:
Base-Base interactions energy: -1683.019
where: short stacking energy: -703.392
Base-Backbone interact. energy: -0.031
local terms energy: -712.398208
where:
bonds (distance) C4'-P energy: -114.271
bonds (distance) P-C4' energy: -117.107
flat angles C4'-P-C4' energy: -160.322
flat angles P-C4'-P energy: -113.081
tors. eta vs tors. theta energy: -207.616
Dist. restrs. and SS energy: 7.316 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -2290.840078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2290.840078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2302.046565 (E_RNA)
where:
Base-Base interactions energy: -1622.592
where: short stacking energy: -678.787
Base-Backbone interact. energy: -2.081
local terms energy: -677.373666
where:
bonds (distance) C4'-P energy: -124.791
bonds (distance) P-C4' energy: -113.802
flat angles C4'-P-C4' energy: -159.707
flat angles P-C4'-P energy: -88.122
tors. eta vs tors. theta energy: -190.952
Dist. restrs. and SS energy: 11.206 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -2175.775112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2175.775112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2185.256154 (E_RNA)
where:
Base-Base interactions energy: -1505.280
where: short stacking energy: -648.398
Base-Backbone interact. energy: 1.678
local terms energy: -681.653895
where:
bonds (distance) C4'-P energy: -117.359
bonds (distance) P-C4' energy: -125.758
flat angles C4'-P-C4' energy: -148.229
flat angles P-C4'-P energy: -83.762
tors. eta vs tors. theta energy: -206.545
Dist. restrs. and SS energy: 9.481 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -1976.909326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1976.909326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1994.550347 (E_RNA)
where:
Base-Base interactions energy: -1394.970
where: short stacking energy: -570.225
Base-Backbone interact. energy: 5.165
local terms energy: -604.745257
where:
bonds (distance) C4'-P energy: -110.533
bonds (distance) P-C4' energy: -103.594
flat angles C4'-P-C4' energy: -129.500
flat angles P-C4'-P energy: -93.424
tors. eta vs tors. theta energy: -167.694
Dist. restrs. and SS energy: 17.641 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -2000.493726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.493726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2017.838579 (E_RNA)
where:
Base-Base interactions energy: -1425.320
where: short stacking energy: -588.162
Base-Backbone interact. energy: 1.002
local terms energy: -593.521350
where:
bonds (distance) C4'-P energy: -94.424
bonds (distance) P-C4' energy: -124.032
flat angles C4'-P-C4' energy: -132.474
flat angles P-C4'-P energy: -82.405
tors. eta vs tors. theta energy: -160.187
Dist. restrs. and SS energy: 17.345 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -2811.237541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2811.237541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2814.855884 (E_RNA)
where:
Base-Base interactions energy: -1963.225
where: short stacking energy: -850.577
Base-Backbone interact. energy: -4.026
local terms energy: -847.605100
where:
bonds (distance) C4'-P energy: -146.910
bonds (distance) P-C4' energy: -142.521
flat angles C4'-P-C4' energy: -170.304
flat angles P-C4'-P energy: -129.450
tors. eta vs tors. theta energy: -258.420
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: 2, replica: 5
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -2650.922688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2650.922688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2656.341227 (E_RNA)
where:
Base-Base interactions energy: -1838.189
where: short stacking energy: -793.835
Base-Backbone interact. energy: -2.209
local terms energy: -815.942718
where:
bonds (distance) C4'-P energy: -150.505
bonds (distance) P-C4' energy: -152.704
flat angles C4'-P-C4' energy: -165.618
flat angles P-C4'-P energy: -104.473
tors. eta vs tors. theta energy: -242.643
Dist. restrs. and SS energy: 5.419 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -2609.108094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2609.108094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2615.602064 (E_RNA)
where:
Base-Base interactions energy: -1847.736
where: short stacking energy: -793.480
Base-Backbone interact. energy: -1.478
local terms energy: -766.388535
where:
bonds (distance) C4'-P energy: -128.179
bonds (distance) P-C4' energy: -137.874
flat angles C4'-P-C4' energy: -164.786
flat angles P-C4'-P energy: -110.946
tors. eta vs tors. theta energy: -224.604
Dist. restrs. and SS energy: 6.494 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -2513.781418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2513.781418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2517.880208 (E_RNA)
where:
Base-Base interactions energy: -1776.094
where: short stacking energy: -750.092
Base-Backbone interact. energy: -1.980
local terms energy: -739.806210
where:
bonds (distance) C4'-P energy: -126.077
bonds (distance) P-C4' energy: -129.117
flat angles C4'-P-C4' energy: -152.285
flat angles P-C4'-P energy: -112.184
tors. eta vs tors. theta energy: -220.144
Dist. restrs. and SS energy: 4.099 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -2409.804116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2409.804116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2416.180257 (E_RNA)
where:
Base-Base interactions energy: -1698.131
where: short stacking energy: -718.035
Base-Backbone interact. energy: 1.156
local terms energy: -719.205058
where:
bonds (distance) C4'-P energy: -122.036
bonds (distance) P-C4' energy: -134.076
flat angles C4'-P-C4' energy: -141.841
flat angles P-C4'-P energy: -109.492
tors. eta vs tors. theta energy: -211.760
Dist. restrs. and SS energy: 6.376 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -2398.198210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2398.198210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2402.169407 (E_RNA)
where:
Base-Base interactions energy: -1710.867
where: short stacking energy: -739.283
Base-Backbone interact. energy: 3.866
local terms energy: -695.167667
where:
bonds (distance) C4'-P energy: -112.214
bonds (distance) P-C4' energy: -125.294
flat angles C4'-P-C4' energy: -151.524
flat angles P-C4'-P energy: -89.357
tors. eta vs tors. theta energy: -216.779
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: 7, replica: 1
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -2268.464072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2268.464072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2278.838428 (E_RNA)
where:
Base-Base interactions energy: -1593.441
where: short stacking energy: -650.471
Base-Backbone interact. energy: -2.214
local terms energy: -683.183639
where:
bonds (distance) C4'-P energy: -128.014
bonds (distance) P-C4' energy: -118.623
flat angles C4'-P-C4' energy: -148.223
flat angles P-C4'-P energy: -87.827
tors. eta vs tors. theta energy: -200.496
Dist. restrs. and SS energy: 10.374 (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: 6
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -2071.887666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2071.887666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2084.462004 (E_RNA)
where:
Base-Base interactions energy: -1486.797
where: short stacking energy: -621.988
Base-Backbone interact. energy: -1.634
local terms energy: -596.031348
where:
bonds (distance) C4'-P energy: -96.809
bonds (distance) P-C4' energy: -105.377
flat angles C4'-P-C4' energy: -133.821
flat angles P-C4'-P energy: -83.823
tors. eta vs tors. theta energy: -176.202
Dist. restrs. and SS energy: 12.574 (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: 4
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -2107.774954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2107.774954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2119.468373 (E_RNA)
where:
Base-Base interactions energy: -1480.777
where: short stacking energy: -603.833
Base-Backbone interact. energy: 3.792
local terms energy: -642.483308
where:
bonds (distance) C4'-P energy: -111.735
bonds (distance) P-C4' energy: -108.639
flat angles C4'-P-C4' energy: -142.241
flat angles P-C4'-P energy: -91.126
tors. eta vs tors. theta energy: -188.742
Dist. restrs. and SS energy: 11.693 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -2018.534726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.534726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2031.447451 (E_RNA)
where:
Base-Base interactions energy: -1408.192
where: short stacking energy: -600.253
Base-Backbone interact. energy: 3.707
local terms energy: -626.962514
where:
bonds (distance) C4'-P energy: -119.044
bonds (distance) P-C4' energy: -115.920
flat angles C4'-P-C4' energy: -131.236
flat angles P-C4'-P energy: -75.829
tors. eta vs tors. theta energy: -184.934
Dist. restrs. and SS energy: 12.913 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -2825.292355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2825.292355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2829.573131 (E_RNA)
where:
Base-Base interactions energy: -1988.208
where: short stacking energy: -835.305
Base-Backbone interact. energy: -0.585
local terms energy: -840.780013
where:
bonds (distance) C4'-P energy: -148.043
bonds (distance) P-C4' energy: -144.193
flat angles C4'-P-C4' energy: -167.419
flat angles P-C4'-P energy: -129.350
tors. eta vs tors. theta energy: -251.775
Dist. restrs. and SS energy: 4.281 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -2640.399913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2640.399913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2644.024558 (E_RNA)
where:
Base-Base interactions energy: -1860.091
where: short stacking energy: -763.735
Base-Backbone interact. energy: -2.629
local terms energy: -781.305170
where:
bonds (distance) C4'-P energy: -127.652
bonds (distance) P-C4' energy: -150.105
flat angles C4'-P-C4' energy: -161.394
flat angles P-C4'-P energy: -120.112
tors. eta vs tors. theta energy: -222.042
Dist. restrs. and SS energy: 3.625 (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: 374
Temperature: 1.000000
Total energy: -2649.334271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2649.334271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2657.743647 (E_RNA)
where:
Base-Base interactions energy: -1897.799
where: short stacking energy: -769.056
Base-Backbone interact. energy: -1.371
local terms energy: -758.573798
where:
bonds (distance) C4'-P energy: -130.165
bonds (distance) P-C4' energy: -125.496
flat angles C4'-P-C4' energy: -158.523
flat angles P-C4'-P energy: -111.387
tors. eta vs tors. theta energy: -233.003
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: 4, replica: 8
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -2534.334307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2534.334307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2537.727581 (E_RNA)
where:
Base-Base interactions energy: -1813.237
where: short stacking energy: -775.416
Base-Backbone interact. energy: -2.975
local terms energy: -721.515353
where:
bonds (distance) C4'-P energy: -118.338
bonds (distance) P-C4' energy: -132.683
flat angles C4'-P-C4' energy: -151.134
flat angles P-C4'-P energy: -95.401
tors. eta vs tors. theta energy: -223.959
Dist. restrs. and SS energy: 3.393 (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: 7
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -2453.863100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2453.863100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2463.338233 (E_RNA)
where:
Base-Base interactions energy: -1728.546
where: short stacking energy: -737.096
Base-Backbone interact. energy: 2.323
local terms energy: -737.115089
where:
bonds (distance) C4'-P energy: -138.495
bonds (distance) P-C4' energy: -133.347
flat angles C4'-P-C4' energy: -158.250
flat angles P-C4'-P energy: -84.313
tors. eta vs tors. theta energy: -222.709
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: 6, replica: 3
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -2385.749489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2385.749489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2390.097304 (E_RNA)
where:
Base-Base interactions energy: -1663.891
where: short stacking energy: -697.755
Base-Backbone interact. energy: -2.430
local terms energy: -723.775707
where:
bonds (distance) C4'-P energy: -126.924
bonds (distance) P-C4' energy: -124.223
flat angles C4'-P-C4' energy: -159.234
flat angles P-C4'-P energy: -97.146
tors. eta vs tors. theta energy: -216.249
Dist. restrs. and SS energy: 4.348 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -2274.915877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2274.915877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2288.677943 (E_RNA)
where:
Base-Base interactions energy: -1598.566
where: short stacking energy: -660.051
Base-Backbone interact. energy: -2.786
local terms energy: -687.325687
where:
bonds (distance) C4'-P energy: -117.104
bonds (distance) P-C4' energy: -132.253
flat angles C4'-P-C4' energy: -144.751
flat angles P-C4'-P energy: -97.811
tors. eta vs tors. theta energy: -195.405
Dist. restrs. and SS energy: 13.762 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -2101.097447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2101.097447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2120.838794 (E_RNA)
where:
Base-Base interactions energy: -1527.158
where: short stacking energy: -638.203
Base-Backbone interact. energy: -3.723
local terms energy: -589.957654
where:
bonds (distance) C4'-P energy: -115.974
bonds (distance) P-C4' energy: -114.600
flat angles C4'-P-C4' energy: -130.836
flat angles P-C4'-P energy: -66.459
tors. eta vs tors. theta energy: -162.088
Dist. restrs. and SS energy: 19.741 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -2157.475670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2157.475670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2175.169234 (E_RNA)
where:
Base-Base interactions energy: -1510.761
where: short stacking energy: -632.444
Base-Backbone interact. energy: -1.036
local terms energy: -663.372457
where:
bonds (distance) C4'-P energy: -102.568
bonds (distance) P-C4' energy: -120.493
flat angles C4'-P-C4' energy: -150.228
flat angles P-C4'-P energy: -96.989
tors. eta vs tors. theta energy: -193.094
Dist. restrs. and SS energy: 17.694 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -2046.456361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2046.456361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2057.447827 (E_RNA)
where:
Base-Base interactions energy: -1460.459
where: short stacking energy: -610.741
Base-Backbone interact. energy: 2.573
local terms energy: -599.561651
where:
bonds (distance) C4'-P energy: -110.524
bonds (distance) P-C4' energy: -96.522
flat angles C4'-P-C4' energy: -136.155
flat angles P-C4'-P energy: -77.052
tors. eta vs tors. theta energy: -179.308
Dist. restrs. and SS energy: 10.991 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -2812.268797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2812.268797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2816.657560 (E_RNA)
where:
Base-Base interactions energy: -1969.112
where: short stacking energy: -832.879
Base-Backbone interact. energy: -1.129
local terms energy: -846.416765
where:
bonds (distance) C4'-P energy: -139.475
bonds (distance) P-C4' energy: -147.846
flat angles C4'-P-C4' energy: -175.161
flat angles P-C4'-P energy: -128.169
tors. eta vs tors. theta energy: -255.764
Dist. restrs. and SS energy: 4.389 (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: 10
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -2700.009353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2700.009353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2706.511455 (E_RNA)
where:
Base-Base interactions energy: -1899.096
where: short stacking energy: -791.380
Base-Backbone interact. energy: -0.787
local terms energy: -806.628369
where:
bonds (distance) C4'-P energy: -140.379
bonds (distance) P-C4' energy: -142.492
flat angles C4'-P-C4' energy: -167.656
flat angles P-C4'-P energy: -119.286
tors. eta vs tors. theta energy: -236.815
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: 3, replica: 5
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -2590.466403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2590.466403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2595.337383 (E_RNA)
where:
Base-Base interactions energy: -1805.195
where: short stacking energy: -767.851
Base-Backbone interact. energy: 1.103
local terms energy: -791.245458
where:
bonds (distance) C4'-P energy: -152.196
bonds (distance) P-C4' energy: -137.267
flat angles C4'-P-C4' energy: -157.730
flat angles P-C4'-P energy: -114.183
tors. eta vs tors. theta energy: -229.871
Dist. restrs. and SS energy: 4.871 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -2550.846017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2550.846017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2555.218525 (E_RNA)
where:
Base-Base interactions energy: -1790.966
where: short stacking energy: -787.273
Base-Backbone interact. energy: -4.198
local terms energy: -760.053900
where:
bonds (distance) C4'-P energy: -138.049
bonds (distance) P-C4' energy: -113.012
flat angles C4'-P-C4' energy: -165.428
flat angles P-C4'-P energy: -108.811
tors. eta vs tors. theta energy: -234.755
Dist. restrs. and SS energy: 4.373 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -2436.567489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2436.567489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2446.762653 (E_RNA)
where:
Base-Base interactions energy: -1723.218
where: short stacking energy: -731.911
Base-Backbone interact. energy: -1.826
local terms energy: -721.718852
where:
bonds (distance) C4'-P energy: -119.187
bonds (distance) P-C4' energy: -126.789
flat angles C4'-P-C4' energy: -152.341
flat angles P-C4'-P energy: -99.350
tors. eta vs tors. theta energy: -224.052
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: 6, replica: 3
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -2384.008594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2384.008594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2388.815481 (E_RNA)
where:
Base-Base interactions energy: -1668.972
where: short stacking energy: -690.374
Base-Backbone interact. energy: 0.165
local terms energy: -720.009233
where:
bonds (distance) C4'-P energy: -128.692
bonds (distance) P-C4' energy: -118.475
flat angles C4'-P-C4' energy: -149.869
flat angles P-C4'-P energy: -105.095
tors. eta vs tors. theta energy: -217.878
Dist. restrs. and SS energy: 4.807 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -2241.919823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2241.919823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2251.348950 (E_RNA)
where:
Base-Base interactions energy: -1591.385
where: short stacking energy: -667.691
Base-Backbone interact. energy: -3.133
local terms energy: -656.830905
where:
bonds (distance) C4'-P energy: -114.803
bonds (distance) P-C4' energy: -115.422
flat angles C4'-P-C4' energy: -140.177
flat angles P-C4'-P energy: -81.656
tors. eta vs tors. theta energy: -204.774
Dist. restrs. and SS energy: 9.429 (S_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: 375
Temperature: 1.250000
Total energy: -2201.601338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2201.601338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2216.493401 (E_RNA)
where:
Base-Base interactions energy: -1536.419
where: short stacking energy: -632.239
Base-Backbone interact. energy: 0.733
local terms energy: -680.808065
where:
bonds (distance) C4'-P energy: -134.024
bonds (distance) P-C4' energy: -124.259
flat angles C4'-P-C4' energy: -144.908
flat angles P-C4'-P energy: -93.046
tors. eta vs tors. theta energy: -184.570
Dist. restrs. and SS energy: 14.892 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -2010.451869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2010.451869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2037.458242 (E_RNA)
where:
Base-Base interactions energy: -1416.222
where: short stacking energy: -575.661
Base-Backbone interact. energy: -0.807
local terms energy: -620.429083
where:
bonds (distance) C4'-P energy: -110.716
bonds (distance) P-C4' energy: -131.449
flat angles C4'-P-C4' energy: -132.519
flat angles P-C4'-P energy: -75.379
tors. eta vs tors. theta energy: -170.366
Dist. restrs. and SS energy: 27.006 (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: 9
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -2000.056057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.056057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.960613 (E_RNA)
where:
Base-Base interactions energy: -1428.467
where: short stacking energy: -574.683
Base-Backbone interact. energy: -2.010
local terms energy: -585.483449
where:
bonds (distance) C4'-P energy: -87.749
bonds (distance) P-C4' energy: -98.327
flat angles C4'-P-C4' energy: -150.861
flat angles P-C4'-P energy: -85.799
tors. eta vs tors. theta energy: -162.748
Dist. restrs. and SS energy: 15.905 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -2835.860555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2835.860555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2839.775145 (E_RNA)
where:
Base-Base interactions energy: -1996.959
where: short stacking energy: -843.863
Base-Backbone interact. energy: -2.817
local terms energy: -839.999644
where:
bonds (distance) C4'-P energy: -144.221
bonds (distance) P-C4' energy: -147.940
flat angles C4'-P-C4' energy: -165.195
flat angles P-C4'-P energy: -126.665
tors. eta vs tors. theta energy: -255.979
Dist. restrs. and SS energy: 3.915 (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: 10
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -2699.624612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2699.624612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2708.710665 (E_RNA)
where:
Base-Base interactions energy: -1913.585
where: short stacking energy: -792.300
Base-Backbone interact. energy: -2.374
local terms energy: -792.751540
where:
bonds (distance) C4'-P energy: -143.911
bonds (distance) P-C4' energy: -142.813
flat angles C4'-P-C4' energy: -154.473
flat angles P-C4'-P energy: -121.150
tors. eta vs tors. theta energy: -230.405
Dist. restrs. and SS energy: 9.086 (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: 8
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -2577.043012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2577.043012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2580.108119 (E_RNA)
where:
Base-Base interactions energy: -1796.500
where: short stacking energy: -768.191
Base-Backbone interact. energy: -3.018
local terms energy: -780.590240
where:
bonds (distance) C4'-P energy: -131.794
bonds (distance) P-C4' energy: -142.666
flat angles C4'-P-C4' energy: -166.867
flat angles P-C4'-P energy: -101.104
tors. eta vs tors. theta energy: -238.159
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: 4, replica: 5
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -2518.886807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2518.886807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2524.740897 (E_RNA)
where:
Base-Base interactions energy: -1750.528
where: short stacking energy: -707.845
Base-Backbone interact. energy: -2.586
local terms energy: -771.626679
where:
bonds (distance) C4'-P energy: -146.119
bonds (distance) P-C4' energy: -133.011
flat angles C4'-P-C4' energy: -158.386
flat angles P-C4'-P energy: -114.882
tors. eta vs tors. theta energy: -219.228
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: 7
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -2426.670122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2426.670122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2433.563417 (E_RNA)
where:
Base-Base interactions energy: -1715.093
where: short stacking energy: -716.789
Base-Backbone interact. energy: -2.137
local terms energy: -716.333495
where:
bonds (distance) C4'-P energy: -128.376
bonds (distance) P-C4' energy: -132.666
flat angles C4'-P-C4' energy: -158.081
flat angles P-C4'-P energy: -93.077
tors. eta vs tors. theta energy: -204.134
Dist. restrs. and SS energy: 6.893 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -2359.147622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2359.147622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2362.700233 (E_RNA)
where:
Base-Base interactions energy: -1663.010
where: short stacking energy: -694.350
Base-Backbone interact. energy: -3.221
local terms energy: -696.468708
where:
bonds (distance) C4'-P energy: -125.940
bonds (distance) P-C4' energy: -119.715
flat angles C4'-P-C4' energy: -134.857
flat angles P-C4'-P energy: -103.955
tors. eta vs tors. theta energy: -212.002
Dist. restrs. and SS energy: 3.553 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -2253.823599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2253.823599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2260.200287 (E_RNA)
where:
Base-Base interactions energy: -1581.780
where: short stacking energy: -644.396
Base-Backbone interact. energy: 1.679
local terms energy: -680.099143
where:
bonds (distance) C4'-P energy: -125.187
bonds (distance) P-C4' energy: -120.971
flat angles C4'-P-C4' energy: -155.042
flat angles P-C4'-P energy: -95.848
tors. eta vs tors. theta energy: -183.051
Dist. restrs. and SS energy: 6.377 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -2180.749852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2180.749852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2193.862321 (E_RNA)
where:
Base-Base interactions energy: -1523.897
where: short stacking energy: -616.745
Base-Backbone interact. energy: 5.704
local terms energy: -675.668954
where:
bonds (distance) C4'-P energy: -127.542
bonds (distance) P-C4' energy: -131.040
flat angles C4'-P-C4' energy: -150.417
flat angles P-C4'-P energy: -85.378
tors. eta vs tors. theta energy: -181.292
Dist. restrs. and SS energy: 13.112 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -2008.773667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2008.773667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.157629 (E_RNA)
where:
Base-Base interactions energy: -1402.289
where: short stacking energy: -602.365
Base-Backbone interact. energy: -1.915
local terms energy: -620.953847
where:
bonds (distance) C4'-P energy: -111.202
bonds (distance) P-C4' energy: -124.858
flat angles C4'-P-C4' energy: -124.127
flat angles P-C4'-P energy: -90.194
tors. eta vs tors. theta energy: -170.573
Dist. restrs. and SS energy: 16.384 (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: 9
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -2039.602047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2039.602047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2053.955719 (E_RNA)
where:
Base-Base interactions energy: -1450.958
where: short stacking energy: -599.995
Base-Backbone interact. energy: -2.803
local terms energy: -600.194910
where:
bonds (distance) C4'-P energy: -115.451
bonds (distance) P-C4' energy: -112.897
flat angles C4'-P-C4' energy: -133.586
flat angles P-C4'-P energy: -74.838
tors. eta vs tors. theta energy: -163.422
Dist. restrs. and SS energy: 14.354 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -2813.620124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2813.620124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2818.414370 (E_RNA)
where:
Base-Base interactions energy: -1977.119
where: short stacking energy: -844.024
Base-Backbone interact. energy: -0.985
local terms energy: -840.310688
where:
bonds (distance) C4'-P energy: -139.965
bonds (distance) P-C4' energy: -139.673
flat angles C4'-P-C4' energy: -183.064
flat angles P-C4'-P energy: -125.493
tors. eta vs tors. theta energy: -252.116
Dist. restrs. and SS energy: 4.794 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -2701.510620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2701.510620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2709.511501 (E_RNA)
where:
Base-Base interactions energy: -1900.871
where: short stacking energy: -792.286
Base-Backbone interact. energy: -6.349
local terms energy: -802.291576
where:
bonds (distance) C4'-P energy: -136.701
bonds (distance) P-C4' energy: -146.864
flat angles C4'-P-C4' energy: -166.140
flat angles P-C4'-P energy: -114.242
tors. eta vs tors. theta energy: -238.344
Dist. restrs. and SS energy: 8.001 (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: 377
Temperature: 1.000000
Total energy: -2591.621405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2591.621405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2594.258053 (E_RNA)
where:
Base-Base interactions energy: -1823.497
where: short stacking energy: -762.580
Base-Backbone interact. energy: -1.531
local terms energy: -769.230111
where:
bonds (distance) C4'-P energy: -144.028
bonds (distance) P-C4' energy: -124.913
flat angles C4'-P-C4' energy: -160.335
flat angles P-C4'-P energy: -105.524
tors. eta vs tors. theta energy: -234.430
Dist. restrs. and SS energy: 2.637 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -2525.554397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2525.554397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2531.193807 (E_RNA)
where:
Base-Base interactions energy: -1789.933
where: short stacking energy: -740.691
Base-Backbone interact. energy: -0.617
local terms energy: -740.643580
where:
bonds (distance) C4'-P energy: -141.508
bonds (distance) P-C4' energy: -122.125
flat angles C4'-P-C4' energy: -153.408
flat angles P-C4'-P energy: -105.462
tors. eta vs tors. theta energy: -218.141
Dist. restrs. and SS energy: 5.639 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -2406.984729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2406.984729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2414.074173 (E_RNA)
where:
Base-Base interactions energy: -1704.220
where: short stacking energy: -721.486
Base-Backbone interact. energy: -4.631
local terms energy: -705.222499
where:
bonds (distance) C4'-P energy: -113.386
bonds (distance) P-C4' energy: -129.041
flat angles C4'-P-C4' energy: -158.871
flat angles P-C4'-P energy: -94.878
tors. eta vs tors. theta energy: -209.046
Dist. restrs. and SS energy: 7.089 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -2377.209801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2377.209801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2383.650782 (E_RNA)
where:
Base-Base interactions energy: -1654.844
where: short stacking energy: -676.239
Base-Backbone interact. energy: -2.655
local terms energy: -726.152383
where:
bonds (distance) C4'-P energy: -129.593
bonds (distance) P-C4' energy: -129.602
flat angles C4'-P-C4' energy: -163.677
flat angles P-C4'-P energy: -87.806
tors. eta vs tors. theta energy: -215.474
Dist. restrs. and SS energy: 6.441 (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: 1
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -2214.329799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2214.329799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2228.817182 (E_RNA)
where:
Base-Base interactions energy: -1584.074
where: short stacking energy: -659.865
Base-Backbone interact. energy: 0.256
local terms energy: -644.999566
where:
bonds (distance) C4'-P energy: -122.956
bonds (distance) P-C4' energy: -128.290
flat angles C4'-P-C4' energy: -145.287
flat angles P-C4'-P energy: -81.754
tors. eta vs tors. theta energy: -166.711
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: 8, replica: 6
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -2088.540075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.540075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2101.698961 (E_RNA)
where:
Base-Base interactions energy: -1509.998
where: short stacking energy: -646.391
Base-Backbone interact. energy: 0.571
local terms energy: -592.271554
where:
bonds (distance) C4'-P energy: -100.018
bonds (distance) P-C4' energy: -133.785
flat angles C4'-P-C4' energy: -135.401
flat angles P-C4'-P energy: -57.322
tors. eta vs tors. theta energy: -165.746
Dist. restrs. and SS energy: 13.159 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -2116.725007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2116.725007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2137.510605 (E_RNA)
where:
Base-Base interactions energy: -1555.062
where: short stacking energy: -637.829
Base-Backbone interact. energy: -1.777
local terms energy: -580.671845
where:
bonds (distance) C4'-P energy: -117.671
bonds (distance) P-C4' energy: -87.867
flat angles C4'-P-C4' energy: -133.179
flat angles P-C4'-P energy: -75.157
tors. eta vs tors. theta energy: -166.797
Dist. restrs. and SS energy: 20.786 (S_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: 377
Temperature: 1.350000
Total energy: -2033.920369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.920369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2049.941827 (E_RNA)
where:
Base-Base interactions energy: -1436.942
where: short stacking energy: -614.053
Base-Backbone interact. energy: -0.557
local terms energy: -612.442486
where:
bonds (distance) C4'-P energy: -108.752
bonds (distance) P-C4' energy: -100.189
flat angles C4'-P-C4' energy: -147.743
flat angles P-C4'-P energy: -75.334
tors. eta vs tors. theta energy: -180.425
Dist. restrs. and SS energy: 16.021 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -2793.431680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2793.431680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2797.122338 (E_RNA)
where:
Base-Base interactions energy: -1936.461
where: short stacking energy: -815.608
Base-Backbone interact. energy: -2.643
local terms energy: -858.018336
where:
bonds (distance) C4'-P energy: -144.085
bonds (distance) P-C4' energy: -148.817
flat angles C4'-P-C4' energy: -180.334
flat angles P-C4'-P energy: -128.542
tors. eta vs tors. theta energy: -256.240
Dist. restrs. and SS energy: 3.691 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -2659.936947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2659.936947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2667.493496 (E_RNA)
where:
Base-Base interactions energy: -1872.686
where: short stacking energy: -784.275
Base-Backbone interact. energy: -2.449
local terms energy: -792.358824
where:
bonds (distance) C4'-P energy: -134.540
bonds (distance) P-C4' energy: -131.467
flat angles C4'-P-C4' energy: -172.457
flat angles P-C4'-P energy: -112.752
tors. eta vs tors. theta energy: -241.142
Dist. restrs. and SS energy: 7.557 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -2631.375451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2631.375451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2634.498552 (E_RNA)
where:
Base-Base interactions energy: -1831.229
where: short stacking energy: -786.070
Base-Backbone interact. energy: -1.192
local terms energy: -802.078065
where:
bonds (distance) C4'-P energy: -146.585
bonds (distance) P-C4' energy: -139.388
flat angles C4'-P-C4' energy: -164.349
flat angles P-C4'-P energy: -108.044
tors. eta vs tors. theta energy: -243.712
Dist. restrs. and SS energy: 3.123 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -2520.269086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2520.269086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2524.046054 (E_RNA)
where:
Base-Base interactions energy: -1755.843
where: short stacking energy: -732.522
Base-Backbone interact. energy: -3.208
local terms energy: -764.994901
where:
bonds (distance) C4'-P energy: -140.505
bonds (distance) P-C4' energy: -127.689
flat angles C4'-P-C4' energy: -162.581
flat angles P-C4'-P energy: -111.388
tors. eta vs tors. theta energy: -222.831
Dist. restrs. and SS energy: 3.777 (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: 7
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -2453.220365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2453.220365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2457.433030 (E_RNA)
where:
Base-Base interactions energy: -1721.985
where: short stacking energy: -739.822
Base-Backbone interact. energy: -2.008
local terms energy: -733.439913
where:
bonds (distance) C4'-P energy: -121.546
bonds (distance) P-C4' energy: -129.789
flat angles C4'-P-C4' energy: -151.853
flat angles P-C4'-P energy: -104.113
tors. eta vs tors. theta energy: -226.139
Dist. restrs. and SS energy: 4.213 (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: 3
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -2365.510166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2365.510166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2369.882221 (E_RNA)
where:
Base-Base interactions energy: -1670.685
where: short stacking energy: -714.393
Base-Backbone interact. energy: -1.219
local terms energy: -697.977795
where:
bonds (distance) C4'-P energy: -124.555
bonds (distance) P-C4' energy: -120.370
flat angles C4'-P-C4' energy: -154.022
flat angles P-C4'-P energy: -88.998
tors. eta vs tors. theta energy: -210.033
Dist. restrs. and SS energy: 4.372 (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: 1
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -2243.809631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2243.809631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2253.668995 (E_RNA)
where:
Base-Base interactions energy: -1591.576
where: short stacking energy: -660.295
Base-Backbone interact. energy: -2.969
local terms energy: -659.124244
where:
bonds (distance) C4'-P energy: -116.327
bonds (distance) P-C4' energy: -111.030
flat angles C4'-P-C4' energy: -155.718
flat angles P-C4'-P energy: -85.752
tors. eta vs tors. theta energy: -190.298
Dist. restrs. and SS energy: 9.859 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -2100.292307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2100.292307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2111.875039 (E_RNA)
where:
Base-Base interactions energy: -1464.501
where: short stacking energy: -583.727
Base-Backbone interact. energy: 0.318
local terms energy: -647.691535
where:
bonds (distance) C4'-P energy: -122.694
bonds (distance) P-C4' energy: -124.106
flat angles C4'-P-C4' energy: -132.223
flat angles P-C4'-P energy: -98.426
tors. eta vs tors. theta energy: -170.241
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: 9, replica: 4
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -2101.442292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2101.442292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2122.789731 (E_RNA)
where:
Base-Base interactions energy: -1464.462
where: short stacking energy: -612.642
Base-Backbone interact. energy: -0.456
local terms energy: -657.871028
where:
bonds (distance) C4'-P energy: -122.680
bonds (distance) P-C4' energy: -112.887
flat angles C4'-P-C4' energy: -143.503
flat angles P-C4'-P energy: -95.394
tors. eta vs tors. theta energy: -183.407
Dist. restrs. and SS energy: 21.347 (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: 9
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -2004.885623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2004.885623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2019.387881 (E_RNA)
where:
Base-Base interactions energy: -1395.454
where: short stacking energy: -595.086
Base-Backbone interact. energy: -3.761
local terms energy: -620.172518
where:
bonds (distance) C4'-P energy: -103.992
bonds (distance) P-C4' energy: -120.093
flat angles C4'-P-C4' energy: -145.610
flat angles P-C4'-P energy: -79.460
tors. eta vs tors. theta energy: -171.018
Dist. restrs. and SS energy: 14.502 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -2811.195757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2811.195757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2816.547755 (E_RNA)
where:
Base-Base interactions energy: -1977.475
where: short stacking energy: -836.487
Base-Backbone interact. energy: -1.582
local terms energy: -837.490205
where:
bonds (distance) C4'-P energy: -148.925
bonds (distance) P-C4' energy: -143.624
flat angles C4'-P-C4' energy: -169.580
flat angles P-C4'-P energy: -124.625
tors. eta vs tors. theta energy: -250.736
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: 2, replica: 10
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -2692.510156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2692.510156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2697.610913 (E_RNA)
where:
Base-Base interactions energy: -1901.595
where: short stacking energy: -802.317
Base-Backbone interact. energy: -2.245
local terms energy: -793.771150
where:
bonds (distance) C4'-P energy: -133.162
bonds (distance) P-C4' energy: -148.932
flat angles C4'-P-C4' energy: -157.912
flat angles P-C4'-P energy: -120.929
tors. eta vs tors. theta energy: -232.837
Dist. restrs. and SS energy: 5.101 (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: 8
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -2606.240945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2606.240945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2608.577375 (E_RNA)
where:
Base-Base interactions energy: -1818.553
where: short stacking energy: -780.819
Base-Backbone interact. energy: -2.712
local terms energy: -787.312059
where:
bonds (distance) C4'-P energy: -147.227
bonds (distance) P-C4' energy: -141.741
flat angles C4'-P-C4' energy: -158.081
flat angles P-C4'-P energy: -105.514
tors. eta vs tors. theta energy: -234.749
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: 4, replica: 5
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -2544.111504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2544.111504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2550.507324 (E_RNA)
where:
Base-Base interactions energy: -1789.865
where: short stacking energy: -745.449
Base-Backbone interact. energy: -2.680
local terms energy: -757.962300
where:
bonds (distance) C4'-P energy: -125.283
bonds (distance) P-C4' energy: -143.157
flat angles C4'-P-C4' energy: -168.583
flat angles P-C4'-P energy: -103.612
tors. eta vs tors. theta energy: -217.328
Dist. restrs. and SS energy: 6.396 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -2439.627103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2439.627103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2445.580676 (E_RNA)
where:
Base-Base interactions energy: -1716.129
where: short stacking energy: -723.062
Base-Backbone interact. energy: -0.458
local terms energy: -728.993267
where:
bonds (distance) C4'-P energy: -142.023
bonds (distance) P-C4' energy: -131.233
flat angles C4'-P-C4' energy: -146.862
flat angles P-C4'-P energy: -92.396
tors. eta vs tors. theta energy: -216.480
Dist. restrs. and SS energy: 5.954 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -2410.207484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2410.207484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2414.382674 (E_RNA)
where:
Base-Base interactions energy: -1679.084
where: short stacking energy: -715.907
Base-Backbone interact. energy: -2.082
local terms energy: -733.216667
where:
bonds (distance) C4'-P energy: -126.981
bonds (distance) P-C4' energy: -138.040
flat angles C4'-P-C4' energy: -157.662
flat angles P-C4'-P energy: -102.661
tors. eta vs tors. theta energy: -207.873
Dist. restrs. and SS energy: 4.175 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -2261.693755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2261.693755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2267.536090 (E_RNA)
where:
Base-Base interactions energy: -1624.849
where: short stacking energy: -673.003
Base-Backbone interact. energy: -2.079
local terms energy: -640.608598
where:
bonds (distance) C4'-P energy: -103.922
bonds (distance) P-C4' energy: -121.420
flat angles C4'-P-C4' energy: -130.800
flat angles P-C4'-P energy: -90.823
tors. eta vs tors. theta energy: -193.644
Dist. restrs. and SS energy: 5.842 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -2111.136263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2111.136263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2128.225051 (E_RNA)
where:
Base-Base interactions energy: -1510.865
where: short stacking energy: -617.027
Base-Backbone interact. energy: 0.879
local terms energy: -618.239032
where:
bonds (distance) C4'-P energy: -102.523
bonds (distance) P-C4' energy: -108.648
flat angles C4'-P-C4' energy: -140.092
flat angles P-C4'-P energy: -81.341
tors. eta vs tors. theta energy: -185.635
Dist. restrs. and SS energy: 17.089 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -2120.042114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2120.042114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2141.679571 (E_RNA)
where:
Base-Base interactions energy: -1500.736
where: short stacking energy: -593.055
Base-Backbone interact. energy: -4.457
local terms energy: -636.486108
where:
bonds (distance) C4'-P energy: -106.261
bonds (distance) P-C4' energy: -125.298
flat angles C4'-P-C4' energy: -150.554
flat angles P-C4'-P energy: -68.318
tors. eta vs tors. theta energy: -186.054
Dist. restrs. and SS energy: 21.637 (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: 9
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -2027.757896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2027.757896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2047.133888 (E_RNA)
where:
Base-Base interactions energy: -1438.474
where: short stacking energy: -602.299
Base-Backbone interact. energy: 10.990
local terms energy: -619.649648
where:
bonds (distance) C4'-P energy: -108.222
bonds (distance) P-C4' energy: -115.501
flat angles C4'-P-C4' energy: -141.737
flat angles P-C4'-P energy: -79.347
tors. eta vs tors. theta energy: -174.842
Dist. restrs. and SS energy: 19.376 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -2820.281806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2820.281806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2823.765112 (E_RNA)
where:
Base-Base interactions energy: -1976.794
where: short stacking energy: -840.676
Base-Backbone interact. energy: -1.130
local terms energy: -845.841543
where:
bonds (distance) C4'-P energy: -154.490
bonds (distance) P-C4' energy: -150.091
flat angles C4'-P-C4' energy: -171.087
flat angles P-C4'-P energy: -124.316
tors. eta vs tors. theta energy: -245.858
Dist. restrs. and SS energy: 3.483 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -2697.234919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2697.234919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2703.789418 (E_RNA)
where:
Base-Base interactions energy: -1920.830
where: short stacking energy: -831.468
Base-Backbone interact. energy: -3.482
local terms energy: -779.477328
where:
bonds (distance) C4'-P energy: -146.069
bonds (distance) P-C4' energy: -131.237
flat angles C4'-P-C4' energy: -168.507
flat angles P-C4'-P energy: -102.723
tors. eta vs tors. theta energy: -230.941
Dist. restrs. and SS energy: 6.554 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -2584.930467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2584.930467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2591.328846 (E_RNA)
where:
Base-Base interactions energy: -1810.859
where: short stacking energy: -760.807
Base-Backbone interact. energy: -4.213
local terms energy: -776.257143
where:
bonds (distance) C4'-P energy: -138.674
bonds (distance) P-C4' energy: -138.587
flat angles C4'-P-C4' energy: -156.818
flat angles P-C4'-P energy: -112.920
tors. eta vs tors. theta energy: -229.258
Dist. restrs. and SS energy: 6.398 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -2549.981179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2549.981179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2552.811283 (E_RNA)
where:
Base-Base interactions energy: -1790.078
where: short stacking energy: -738.612
Base-Backbone interact. energy: -3.778
local terms energy: -758.954722
where:
bonds (distance) C4'-P energy: -136.144
bonds (distance) P-C4' energy: -140.703
flat angles C4'-P-C4' energy: -165.836
flat angles P-C4'-P energy: -90.871
tors. eta vs tors. theta energy: -225.400
Dist. restrs. and SS energy: 2.830 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -2445.967038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2445.967038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2453.503737 (E_RNA)
where:
Base-Base interactions energy: -1716.121
where: short stacking energy: -736.911
Base-Backbone interact. energy: -2.298
local terms energy: -735.085614
where:
bonds (distance) C4'-P energy: -125.310
bonds (distance) P-C4' energy: -134.838
flat angles C4'-P-C4' energy: -158.299
flat angles P-C4'-P energy: -101.211
tors. eta vs tors. theta energy: -215.426
Dist. restrs. and SS energy: 7.537 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -2366.885910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2366.885910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2372.810679 (E_RNA)
where:
Base-Base interactions energy: -1650.808
where: short stacking energy: -705.999
Base-Backbone interact. energy: -2.407
local terms energy: -719.596035
where:
bonds (distance) C4'-P energy: -133.618
bonds (distance) P-C4' energy: -125.017
flat angles C4'-P-C4' energy: -152.861
flat angles P-C4'-P energy: -104.527
tors. eta vs tors. theta energy: -203.573
Dist. restrs. and SS energy: 5.925 (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: 1
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -2250.864092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2250.864092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2262.875868 (E_RNA)
where:
Base-Base interactions energy: -1577.663
where: short stacking energy: -658.542
Base-Backbone interact. energy: -2.635
local terms energy: -682.577390
where:
bonds (distance) C4'-P energy: -125.137
bonds (distance) P-C4' energy: -119.320
flat angles C4'-P-C4' energy: -140.834
flat angles P-C4'-P energy: -98.786
tors. eta vs tors. theta energy: -198.501
Dist. restrs. and SS energy: 12.012 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -2093.407062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2093.407062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.969009 (E_RNA)
where:
Base-Base interactions energy: -1493.875
where: short stacking energy: -624.725
Base-Backbone interact. energy: -2.676
local terms energy: -610.417865
where:
bonds (distance) C4'-P energy: -87.681
bonds (distance) P-C4' energy: -127.005
flat angles C4'-P-C4' energy: -123.287
flat angles P-C4'-P energy: -96.941
tors. eta vs tors. theta energy: -175.503
Dist. restrs. and SS energy: 13.562 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -2026.288757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2026.288757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2035.050098 (E_RNA)
where:
Base-Base interactions energy: -1462.148
where: short stacking energy: -579.920
Base-Backbone interact. energy: 4.360
local terms energy: -577.262320
where:
bonds (distance) C4'-P energy: -101.987
bonds (distance) P-C4' energy: -109.284
flat angles C4'-P-C4' energy: -129.184
flat angles P-C4'-P energy: -86.945
tors. eta vs tors. theta energy: -149.863
Dist. restrs. and SS energy: 8.761 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -2045.783035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2045.783035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2065.752001 (E_RNA)
where:
Base-Base interactions energy: -1441.587
where: short stacking energy: -607.526
Base-Backbone interact. energy: -2.135
local terms energy: -622.029619
where:
bonds (distance) C4'-P energy: -110.314
bonds (distance) P-C4' energy: -109.491
flat angles C4'-P-C4' energy: -147.872
flat angles P-C4'-P energy: -78.971
tors. eta vs tors. theta energy: -175.381
Dist. restrs. and SS energy: 19.969 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -2800.430915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2800.430915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2803.559520 (E_RNA)
where:
Base-Base interactions energy: -1970.565
where: short stacking energy: -827.329
Base-Backbone interact. energy: -0.994
local terms energy: -832.000589
where:
bonds (distance) C4'-P energy: -152.970
bonds (distance) P-C4' energy: -137.461
flat angles C4'-P-C4' energy: -172.818
flat angles P-C4'-P energy: -123.395
tors. eta vs tors. theta energy: -245.357
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: 381
Temperature: 0.950000
Total energy: -2681.069334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2681.069334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2687.333293 (E_RNA)
where:
Base-Base interactions energy: -1890.978
where: short stacking energy: -811.121
Base-Backbone interact. energy: -2.165
local terms energy: -794.190622
where:
bonds (distance) C4'-P energy: -130.711
bonds (distance) P-C4' energy: -145.649
flat angles C4'-P-C4' energy: -161.506
flat angles P-C4'-P energy: -119.976
tors. eta vs tors. theta energy: -236.349
Dist. restrs. and SS energy: 6.264 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -2561.740123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2561.740123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2567.289596 (E_RNA)
where:
Base-Base interactions energy: -1797.245
where: short stacking energy: -748.217
Base-Backbone interact. energy: -3.038
local terms energy: -767.006209
where:
bonds (distance) C4'-P energy: -143.171
bonds (distance) P-C4' energy: -129.294
flat angles C4'-P-C4' energy: -158.134
flat angles P-C4'-P energy: -119.221
tors. eta vs tors. theta energy: -217.187
Dist. restrs. and SS energy: 5.549 (S_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: -2540.609202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2540.609202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2543.231968 (E_RNA)
where:
Base-Base interactions energy: -1762.713
where: short stacking energy: -763.236
Base-Backbone interact. energy: -3.955
local terms energy: -776.563697
where:
bonds (distance) C4'-P energy: -144.517
bonds (distance) P-C4' energy: -130.664
flat angles C4'-P-C4' energy: -158.913
flat angles P-C4'-P energy: -112.885
tors. eta vs tors. theta energy: -229.586
Dist. restrs. and SS energy: 2.623 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -2432.425687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2432.425687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2445.897895 (E_RNA)
where:
Base-Base interactions energy: -1708.074
where: short stacking energy: -722.289
Base-Backbone interact. energy: -0.795
local terms energy: -737.028908
where:
bonds (distance) C4'-P energy: -121.101
bonds (distance) P-C4' energy: -135.025
flat angles C4'-P-C4' energy: -156.009
flat angles P-C4'-P energy: -107.298
tors. eta vs tors. theta energy: -217.596
Dist. restrs. and SS energy: 13.472 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -2351.423727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2351.423727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2358.683702 (E_RNA)
where:
Base-Base interactions energy: -1654.879
where: short stacking energy: -701.299
Base-Backbone interact. energy: -2.628
local terms energy: -701.176449
where:
bonds (distance) C4'-P energy: -113.037
bonds (distance) P-C4' energy: -132.686
flat angles C4'-P-C4' energy: -163.996
flat angles P-C4'-P energy: -87.879
tors. eta vs tors. theta energy: -203.579
Dist. restrs. and SS energy: 7.260 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -2234.643192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2234.643192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2244.767238 (E_RNA)
where:
Base-Base interactions energy: -1562.464
where: short stacking energy: -633.363
Base-Backbone interact. energy: 1.354
local terms energy: -683.656967
where:
bonds (distance) C4'-P energy: -131.954
bonds (distance) P-C4' energy: -133.940
flat angles C4'-P-C4' energy: -139.259
flat angles P-C4'-P energy: -91.586
tors. eta vs tors. theta energy: -186.918
Dist. restrs. and SS energy: 10.124 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -2142.203842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2142.203842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2151.800122 (E_RNA)
where:
Base-Base interactions energy: -1506.021
where: short stacking energy: -610.962
Base-Backbone interact. energy: -0.860
local terms energy: -644.918412
where:
bonds (distance) C4'-P energy: -121.408
bonds (distance) P-C4' energy: -123.829
flat angles C4'-P-C4' energy: -127.563
flat angles P-C4'-P energy: -98.319
tors. eta vs tors. theta energy: -173.800
Dist. restrs. and SS energy: 9.596 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -2007.987456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2007.987456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2023.497246 (E_RNA)
where:
Base-Base interactions energy: -1423.302
where: short stacking energy: -575.907
Base-Backbone interact. energy: -2.385
local terms energy: -597.810040
where:
bonds (distance) C4'-P energy: -111.485
bonds (distance) P-C4' energy: -122.871
flat angles C4'-P-C4' energy: -115.895
flat angles P-C4'-P energy: -86.861
tors. eta vs tors. theta energy: -160.699
Dist. restrs. and SS energy: 15.510 (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: 4
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -2010.516323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2010.516323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2041.530889 (E_RNA)
where:
Base-Base interactions energy: -1455.975
where: short stacking energy: -604.618
Base-Backbone interact. energy: 3.819
local terms energy: -589.375442
where:
bonds (distance) C4'-P energy: -110.510
bonds (distance) P-C4' energy: -110.087
flat angles C4'-P-C4' energy: -104.993
flat angles P-C4'-P energy: -89.636
tors. eta vs tors. theta energy: -174.150
Dist. restrs. and SS energy: 31.015 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -2779.688417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2779.688417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2782.663280 (E_RNA)
where:
Base-Base interactions energy: -1956.572
where: short stacking energy: -821.422
Base-Backbone interact. energy: -1.770
local terms energy: -824.321396
where:
bonds (distance) C4'-P energy: -147.567
bonds (distance) P-C4' energy: -145.061
flat angles C4'-P-C4' energy: -170.934
flat angles P-C4'-P energy: -122.051
tors. eta vs tors. theta energy: -238.708
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: 10
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -2687.479152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2687.479152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2694.645097 (E_RNA)
where:
Base-Base interactions energy: -1884.234
where: short stacking energy: -778.063
Base-Backbone interact. energy: -2.449
local terms energy: -807.961482
where:
bonds (distance) C4'-P energy: -146.315
bonds (distance) P-C4' energy: -146.444
flat angles C4'-P-C4' energy: -159.568
flat angles P-C4'-P energy: -126.175
tors. eta vs tors. theta energy: -229.460
Dist. restrs. and SS energy: 7.166 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -2590.780227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2590.780227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2596.536157 (E_RNA)
where:
Base-Base interactions energy: -1844.734
where: short stacking energy: -770.959
Base-Backbone interact. energy: -2.615
local terms energy: -749.186573
where:
bonds (distance) C4'-P energy: -133.808
bonds (distance) P-C4' energy: -125.633
flat angles C4'-P-C4' energy: -160.319
flat angles P-C4'-P energy: -101.891
tors. eta vs tors. theta energy: -227.535
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: 4, replica: 8
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -2567.550181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2567.550181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2569.804844 (E_RNA)
where:
Base-Base interactions energy: -1793.295
where: short stacking energy: -755.361
Base-Backbone interact. energy: -1.575
local terms energy: -774.935315
where:
bonds (distance) C4'-P energy: -144.976
bonds (distance) P-C4' energy: -141.234
flat angles C4'-P-C4' energy: -157.865
flat angles P-C4'-P energy: -103.605
tors. eta vs tors. theta energy: -227.257
Dist. restrs. and SS energy: 2.255 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -2435.093776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2435.093776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2444.674818 (E_RNA)
where:
Base-Base interactions energy: -1703.635
where: short stacking energy: -708.345
Base-Backbone interact. energy: -0.857
local terms energy: -740.182665
where:
bonds (distance) C4'-P energy: -132.999
bonds (distance) P-C4' energy: -139.976
flat angles C4'-P-C4' energy: -145.453
flat angles P-C4'-P energy: -103.588
tors. eta vs tors. theta energy: -218.166
Dist. restrs. and SS energy: 9.581 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -2365.521137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2365.521137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2372.120630 (E_RNA)
where:
Base-Base interactions energy: -1666.695
where: short stacking energy: -702.314
Base-Backbone interact. energy: -0.621
local terms energy: -704.803872
where:
bonds (distance) C4'-P energy: -120.119
bonds (distance) P-C4' energy: -126.141
flat angles C4'-P-C4' energy: -151.762
flat angles P-C4'-P energy: -111.048
tors. eta vs tors. theta energy: -195.734
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: 1
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -2269.702907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2269.702907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2277.442041 (E_RNA)
where:
Base-Base interactions energy: -1596.718
where: short stacking energy: -644.504
Base-Backbone interact. energy: -1.566
local terms energy: -679.157579
where:
bonds (distance) C4'-P energy: -119.370
bonds (distance) P-C4' energy: -130.176
flat angles C4'-P-C4' energy: -145.484
flat angles P-C4'-P energy: -95.770
tors. eta vs tors. theta energy: -188.358
Dist. restrs. and SS energy: 7.739 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -2161.459505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2161.459505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2171.851956 (E_RNA)
where:
Base-Base interactions energy: -1535.792
where: short stacking energy: -646.913
Base-Backbone interact. energy: -0.849
local terms energy: -635.210510
where:
bonds (distance) C4'-P energy: -108.374
bonds (distance) P-C4' energy: -120.594
flat angles C4'-P-C4' energy: -134.372
flat angles P-C4'-P energy: -85.404
tors. eta vs tors. theta energy: -186.468
Dist. restrs. and SS energy: 10.392 (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: 9
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -2071.696502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2071.696502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2089.656154 (E_RNA)
where:
Base-Base interactions energy: -1442.024
where: short stacking energy: -619.292
Base-Backbone interact. energy: -1.427
local terms energy: -646.204886
where:
bonds (distance) C4'-P energy: -140.963
bonds (distance) P-C4' energy: -125.248
flat angles C4'-P-C4' energy: -137.543
flat angles P-C4'-P energy: -83.886
tors. eta vs tors. theta energy: -158.564
Dist. restrs. and SS energy: 17.960 (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: 4
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -1992.217566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1992.217566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2014.714666 (E_RNA)
where:
Base-Base interactions energy: -1422.513
where: short stacking energy: -594.604
Base-Backbone interact. energy: 0.961
local terms energy: -593.162564
where:
bonds (distance) C4'-P energy: -103.337
bonds (distance) P-C4' energy: -120.629
flat angles C4'-P-C4' energy: -128.600
flat angles P-C4'-P energy: -73.266
tors. eta vs tors. theta energy: -167.330
Dist. restrs. and SS energy: 22.497 (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: 2
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -2790.893220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2790.893220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2793.267015 (E_RNA)
where:
Base-Base interactions energy: -1967.918
where: short stacking energy: -839.964
Base-Backbone interact. energy: -0.309
local terms energy: -825.039858
where:
bonds (distance) C4'-P energy: -147.706
bonds (distance) P-C4' energy: -151.179
flat angles C4'-P-C4' energy: -166.885
flat angles P-C4'-P energy: -115.132
tors. eta vs tors. theta energy: -244.138
Dist. restrs. and SS energy: 2.374 (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: 10
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -2688.366091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2688.366091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2694.775896 (E_RNA)
where:
Base-Base interactions energy: -1884.220
where: short stacking energy: -778.339
Base-Backbone interact. energy: -2.087
local terms energy: -808.468854
where:
bonds (distance) C4'-P energy: -143.845
bonds (distance) P-C4' energy: -140.296
flat angles C4'-P-C4' energy: -170.695
flat angles P-C4'-P energy: -117.537
tors. eta vs tors. theta energy: -236.095
Dist. restrs. and SS energy: 6.410 (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: 5
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -2593.183878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2593.183878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2600.519370 (E_RNA)
where:
Base-Base interactions energy: -1835.538
where: short stacking energy: -791.819
Base-Backbone interact. energy: 0.904
local terms energy: -765.885139
where:
bonds (distance) C4'-P energy: -130.321
bonds (distance) P-C4' energy: -123.746
flat angles C4'-P-C4' energy: -160.457
flat angles P-C4'-P energy: -119.750
tors. eta vs tors. theta energy: -231.611
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: 4, replica: 8
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -2539.241359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2539.241359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2541.768571 (E_RNA)
where:
Base-Base interactions energy: -1802.961
where: short stacking energy: -754.872
Base-Backbone interact. energy: -0.650
local terms energy: -738.157433
where:
bonds (distance) C4'-P energy: -125.248
bonds (distance) P-C4' energy: -124.723
flat angles C4'-P-C4' energy: -163.294
flat angles P-C4'-P energy: -108.148
tors. eta vs tors. theta energy: -216.744
Dist. restrs. and SS energy: 2.527 (S_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: 383
Temperature: 1.100000
Total energy: -2455.047059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2455.047059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2465.109004 (E_RNA)
where:
Base-Base interactions energy: -1743.727
where: short stacking energy: -747.734
Base-Backbone interact. energy: -1.946
local terms energy: -719.435240
where:
bonds (distance) C4'-P energy: -118.950
bonds (distance) P-C4' energy: -115.946
flat angles C4'-P-C4' energy: -153.198
flat angles P-C4'-P energy: -104.147
tors. eta vs tors. theta energy: -227.195
Dist. restrs. and SS energy: 10.062 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -2341.546236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2341.546236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2350.926265 (E_RNA)
where:
Base-Base interactions energy: -1659.638
where: short stacking energy: -667.602
Base-Backbone interact. energy: -5.476
local terms energy: -685.812035
where:
bonds (distance) C4'-P energy: -132.958
bonds (distance) P-C4' energy: -119.466
flat angles C4'-P-C4' energy: -150.716
flat angles P-C4'-P energy: -85.500
tors. eta vs tors. theta energy: -197.172
Dist. restrs. and SS energy: 9.380 (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: 3
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -2292.197052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2292.197052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2302.501996 (E_RNA)
where:
Base-Base interactions energy: -1568.347
where: short stacking energy: -675.645
Base-Backbone interact. energy: 1.420
local terms energy: -735.575055
where:
bonds (distance) C4'-P energy: -128.343
bonds (distance) P-C4' energy: -130.843
flat angles C4'-P-C4' energy: -154.542
flat angles P-C4'-P energy: -108.850
tors. eta vs tors. theta energy: -212.996
Dist. restrs. and SS energy: 10.305 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -2215.541939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2215.541939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2221.422289 (E_RNA)
where:
Base-Base interactions energy: -1568.557
where: short stacking energy: -643.193
Base-Backbone interact. energy: 3.629
local terms energy: -656.493910
where:
bonds (distance) C4'-P energy: -114.523
bonds (distance) P-C4' energy: -115.729
flat angles C4'-P-C4' energy: -142.881
flat angles P-C4'-P energy: -90.756
tors. eta vs tors. theta energy: -192.605
Dist. restrs. and SS energy: 5.880 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -2107.365906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2107.365906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2124.398434 (E_RNA)
where:
Base-Base interactions energy: -1468.998
where: short stacking energy: -626.042
Base-Backbone interact. energy: -3.302
local terms energy: -652.097644
where:
bonds (distance) C4'-P energy: -116.398
bonds (distance) P-C4' energy: -121.589
flat angles C4'-P-C4' energy: -154.550
flat angles P-C4'-P energy: -79.137
tors. eta vs tors. theta energy: -180.423
Dist. restrs. and SS energy: 17.033 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -2033.411448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.411448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2055.407849 (E_RNA)
where:
Base-Base interactions energy: -1451.497
where: short stacking energy: -609.881
Base-Backbone interact. energy: -0.935
local terms energy: -602.975900
where:
bonds (distance) C4'-P energy: -101.020
bonds (distance) P-C4' energy: -97.357
flat angles C4'-P-C4' energy: -148.528
flat angles P-C4'-P energy: -84.277
tors. eta vs tors. theta energy: -171.794
Dist. restrs. and SS energy: 21.996 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -2841.168062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2841.168062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2844.231139 (E_RNA)
where:
Base-Base interactions energy: -2014.583
where: short stacking energy: -857.467
Base-Backbone interact. energy: -2.371
local terms energy: -827.276513
where:
bonds (distance) C4'-P energy: -128.214
bonds (distance) P-C4' energy: -147.067
flat angles C4'-P-C4' energy: -172.148
flat angles P-C4'-P energy: -127.082
tors. eta vs tors. theta energy: -252.765
Dist. restrs. and SS energy: 3.063 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -2674.103500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2674.103500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2681.405641 (E_RNA)
where:
Base-Base interactions energy: -1891.415
where: short stacking energy: -790.773
Base-Backbone interact. energy: -3.458
local terms energy: -786.532525
where:
bonds (distance) C4'-P energy: -130.507
bonds (distance) P-C4' energy: -150.258
flat angles C4'-P-C4' energy: -161.629
flat angles P-C4'-P energy: -108.964
tors. eta vs tors. theta energy: -235.175
Dist. restrs. and SS energy: 7.302 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -2582.130874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2582.130874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2588.818037 (E_RNA)
where:
Base-Base interactions energy: -1827.794
where: short stacking energy: -765.304
Base-Backbone interact. energy: -0.198
local terms energy: -760.826133
where:
bonds (distance) C4'-P energy: -144.371
bonds (distance) P-C4' energy: -133.451
flat angles C4'-P-C4' energy: -155.230
flat angles P-C4'-P energy: -107.302
tors. eta vs tors. theta energy: -220.472
Dist. restrs. and SS energy: 6.687 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -2582.041083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2582.041083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2585.286872 (E_RNA)
where:
Base-Base interactions energy: -1819.090
where: short stacking energy: -786.745
Base-Backbone interact. energy: -1.305
local terms energy: -764.891641
where:
bonds (distance) C4'-P energy: -141.741
bonds (distance) P-C4' energy: -119.421
flat angles C4'-P-C4' energy: -165.966
flat angles P-C4'-P energy: -108.674
tors. eta vs tors. theta energy: -229.090
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: 5, replica: 7
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -2462.740127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2462.740127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2470.841140 (E_RNA)
where:
Base-Base interactions energy: -1723.951
where: short stacking energy: -704.049
Base-Backbone interact. energy: -4.966
local terms energy: -741.924512
where:
bonds (distance) C4'-P energy: -128.199
bonds (distance) P-C4' energy: -130.397
flat angles C4'-P-C4' energy: -159.539
flat angles P-C4'-P energy: -97.112
tors. eta vs tors. theta energy: -226.678
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: 6, replica: 1
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -2332.335536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2332.335536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2341.615662 (E_RNA)
where:
Base-Base interactions energy: -1616.007
where: short stacking energy: -680.891
Base-Backbone interact. energy: -4.636
local terms energy: -720.972070
where:
bonds (distance) C4'-P energy: -119.495
bonds (distance) P-C4' energy: -155.637
flat angles C4'-P-C4' energy: -157.559
flat angles P-C4'-P energy: -97.851
tors. eta vs tors. theta energy: -190.430
Dist. restrs. and SS energy: 9.280 (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: 3
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -2320.750551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2320.750551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2329.867377 (E_RNA)
where:
Base-Base interactions energy: -1641.176
where: short stacking energy: -677.440
Base-Backbone interact. energy: -1.702
local terms energy: -686.989766
where:
bonds (distance) C4'-P energy: -119.750
bonds (distance) P-C4' energy: -120.998
flat angles C4'-P-C4' energy: -149.155
flat angles P-C4'-P energy: -98.368
tors. eta vs tors. theta energy: -198.720
Dist. restrs. and SS energy: 9.117 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -2199.494206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2199.494206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2213.061470 (E_RNA)
where:
Base-Base interactions energy: -1552.946
where: short stacking energy: -628.288
Base-Backbone interact. energy: 2.334
local terms energy: -662.450116
where:
bonds (distance) C4'-P energy: -124.398
bonds (distance) P-C4' energy: -126.525
flat angles C4'-P-C4' energy: -145.605
flat angles P-C4'-P energy: -84.131
tors. eta vs tors. theta energy: -181.790
Dist. restrs. and SS energy: 13.567 (S_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: 384
Temperature: 1.300000
Total energy: -2076.466960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2076.466960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2091.759126 (E_RNA)
where:
Base-Base interactions energy: -1504.269
where: short stacking energy: -631.858
Base-Backbone interact. energy: 1.845
local terms energy: -589.335346
where:
bonds (distance) C4'-P energy: -102.810
bonds (distance) P-C4' energy: -99.425
flat angles C4'-P-C4' energy: -133.158
flat angles P-C4'-P energy: -82.483
tors. eta vs tors. theta energy: -171.459
Dist. restrs. and SS energy: 15.292 (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: 4
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -1981.054888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1981.054888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2001.601455 (E_RNA)
where:
Base-Base interactions energy: -1376.437
where: short stacking energy: -574.905
Base-Backbone interact. energy: -2.846
local terms energy: -622.319203
where:
bonds (distance) C4'-P energy: -111.263
bonds (distance) P-C4' energy: -106.288
flat angles C4'-P-C4' energy: -129.803
flat angles P-C4'-P energy: -93.310
tors. eta vs tors. theta energy: -181.655
Dist. restrs. and SS energy: 20.547 (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: 2
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -2800.874273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2800.874273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2804.693623 (E_RNA)
where:
Base-Base interactions energy: -1975.848
where: short stacking energy: -817.098
Base-Backbone interact. energy: -2.436
local terms energy: -826.409766
where:
bonds (distance) C4'-P energy: -145.668
bonds (distance) P-C4' energy: -130.640
flat angles C4'-P-C4' energy: -165.429
flat angles P-C4'-P energy: -127.731
tors. eta vs tors. theta energy: -256.942
Dist. restrs. and SS energy: 3.819 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -2674.392407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2674.392407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2680.277137 (E_RNA)
where:
Base-Base interactions energy: -1892.844
where: short stacking energy: -787.751
Base-Backbone interact. energy: -1.832
local terms energy: -785.601612
where:
bonds (distance) C4'-P energy: -145.677
bonds (distance) P-C4' energy: -121.898
flat angles C4'-P-C4' energy: -167.839
flat angles P-C4'-P energy: -116.883
tors. eta vs tors. theta energy: -233.305
Dist. restrs. and SS energy: 5.885 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -2594.920353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2594.920353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2598.004786 (E_RNA)
where:
Base-Base interactions energy: -1806.382
where: short stacking energy: -762.101
Base-Backbone interact. energy: -2.512
local terms energy: -789.111496
where:
bonds (distance) C4'-P energy: -136.531
bonds (distance) P-C4' energy: -144.370
flat angles C4'-P-C4' energy: -167.251
flat angles P-C4'-P energy: -112.056
tors. eta vs tors. theta energy: -228.904
Dist. restrs. and SS energy: 3.084 (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: 8
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -2544.891304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2544.891304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2548.581289 (E_RNA)
where:
Base-Base interactions energy: -1793.485
where: short stacking energy: -775.875
Base-Backbone interact. energy: -3.856
local terms energy: -751.240706
where:
bonds (distance) C4'-P energy: -122.597
bonds (distance) P-C4' energy: -129.317
flat angles C4'-P-C4' energy: -163.170
flat angles P-C4'-P energy: -106.419
tors. eta vs tors. theta energy: -229.738
Dist. restrs. and SS energy: 3.690 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -2491.090084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2491.090084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2501.559803 (E_RNA)
where:
Base-Base interactions energy: -1757.240
where: short stacking energy: -735.533
Base-Backbone interact. energy: 0.393
local terms energy: -744.713341
where:
bonds (distance) C4'-P energy: -126.085
bonds (distance) P-C4' energy: -137.661
flat angles C4'-P-C4' energy: -154.675
flat angles P-C4'-P energy: -108.945
tors. eta vs tors. theta energy: -217.348
Dist. restrs. and SS energy: 10.470 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -2351.634281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2351.634281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2362.974867 (E_RNA)
where:
Base-Base interactions energy: -1666.123
where: short stacking energy: -680.510
Base-Backbone interact. energy: -3.763
local terms energy: -693.088639
where:
bonds (distance) C4'-P energy: -112.349
bonds (distance) P-C4' energy: -110.051
flat angles C4'-P-C4' energy: -162.017
flat angles P-C4'-P energy: -99.577
tors. eta vs tors. theta energy: -209.096
Dist. restrs. and SS energy: 11.341 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -2260.603502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2260.603502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2273.370358 (E_RNA)
where:
Base-Base interactions energy: -1587.485
where: short stacking energy: -659.905
Base-Backbone interact. energy: -5.309
local terms energy: -680.575880
where:
bonds (distance) C4'-P energy: -127.388
bonds (distance) P-C4' energy: -129.551
flat angles C4'-P-C4' energy: -137.853
flat angles P-C4'-P energy: -97.772
tors. eta vs tors. theta energy: -188.011
Dist. restrs. and SS energy: 12.767 (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: 6
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -2182.597482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2182.597482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2194.647276 (E_RNA)
where:
Base-Base interactions energy: -1547.894
where: short stacking energy: -619.877
Base-Backbone interact. energy: -0.748
local terms energy: -646.004571
where:
bonds (distance) C4'-P energy: -113.169
bonds (distance) P-C4' energy: -110.768
flat angles C4'-P-C4' energy: -131.589
flat angles P-C4'-P energy: -91.777
tors. eta vs tors. theta energy: -198.702
Dist. restrs. and SS energy: 12.050 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -2038.236714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2038.236714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2053.398380 (E_RNA)
where:
Base-Base interactions energy: -1460.054
where: short stacking energy: -611.511
Base-Backbone interact. energy: 1.853
local terms energy: -595.197697
where:
bonds (distance) C4'-P energy: -96.126
bonds (distance) P-C4' energy: -107.680
flat angles C4'-P-C4' energy: -132.387
flat angles P-C4'-P energy: -98.320
tors. eta vs tors. theta energy: -160.685
Dist. restrs. and SS energy: 15.162 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -1982.014400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1982.014400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.617808 (E_RNA)
where:
Base-Base interactions energy: -1395.126
where: short stacking energy: -587.577
Base-Backbone interact. energy: -3.186
local terms energy: -611.305887
where:
bonds (distance) C4'-P energy: -126.231
bonds (distance) P-C4' energy: -127.219
flat angles C4'-P-C4' energy: -123.689
flat angles P-C4'-P energy: -66.749
tors. eta vs tors. theta energy: -167.418
Dist. restrs. and SS energy: 27.603 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -2827.827195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2827.827195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2829.856096 (E_RNA)
where:
Base-Base interactions energy: -2015.348
where: short stacking energy: -873.100
Base-Backbone interact. energy: -2.270
local terms energy: -812.237581
where:
bonds (distance) C4'-P energy: -149.502
bonds (distance) P-C4' energy: -115.640
flat angles C4'-P-C4' energy: -164.912
flat angles P-C4'-P energy: -119.752
tors. eta vs tors. theta energy: -262.431
Dist. restrs. and SS energy: 2.029 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -2696.995596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2696.995596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2702.296733 (E_RNA)
where:
Base-Base interactions energy: -1893.996
where: short stacking energy: -798.304
Base-Backbone interact. energy: -5.709
local terms energy: -802.591210
where:
bonds (distance) C4'-P energy: -137.477
bonds (distance) P-C4' energy: -144.277
flat angles C4'-P-C4' energy: -161.901
flat angles P-C4'-P energy: -119.342
tors. eta vs tors. theta energy: -239.594
Dist. restrs. and SS energy: 5.301 (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: 386
Temperature: 1.000000
Total energy: -2607.642228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2607.642228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2611.590595 (E_RNA)
where:
Base-Base interactions energy: -1820.173
where: short stacking energy: -766.409
Base-Backbone interact. energy: -1.496
local terms energy: -789.921587
where:
bonds (distance) C4'-P energy: -136.735
bonds (distance) P-C4' energy: -144.548
flat angles C4'-P-C4' energy: -165.290
flat angles P-C4'-P energy: -112.603
tors. eta vs tors. theta energy: -230.745
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: 4, replica: 5
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -2531.186294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2531.186294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2536.126853 (E_RNA)
where:
Base-Base interactions energy: -1798.532
where: short stacking energy: -754.848
Base-Backbone interact. energy: -2.202
local terms energy: -735.393029
where:
bonds (distance) C4'-P energy: -124.922
bonds (distance) P-C4' energy: -123.018
flat angles C4'-P-C4' energy: -160.642
flat angles P-C4'-P energy: -109.636
tors. eta vs tors. theta energy: -217.175
Dist. restrs. and SS energy: 4.941 (S_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: 386
Temperature: 1.100000
Total energy: -2421.344801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2421.344801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2430.490121 (E_RNA)
where:
Base-Base interactions energy: -1703.924
where: short stacking energy: -705.762
Base-Backbone interact. energy: -1.412
local terms energy: -725.153578
where:
bonds (distance) C4'-P energy: -129.866
bonds (distance) P-C4' energy: -133.227
flat angles C4'-P-C4' energy: -146.985
flat angles P-C4'-P energy: -100.683
tors. eta vs tors. theta energy: -214.392
Dist. restrs. and SS energy: 9.145 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -2344.353771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2344.353771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2352.463867 (E_RNA)
where:
Base-Base interactions energy: -1664.735
where: short stacking energy: -722.821
Base-Backbone interact. energy: -1.384
local terms energy: -686.345256
where:
bonds (distance) C4'-P energy: -115.331
bonds (distance) P-C4' energy: -123.640
flat angles C4'-P-C4' energy: -142.488
flat angles P-C4'-P energy: -102.060
tors. eta vs tors. theta energy: -202.826
Dist. restrs. and SS energy: 8.110 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -2261.316003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2261.316003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2276.090137 (E_RNA)
where:
Base-Base interactions energy: -1593.847
where: short stacking energy: -677.110
Base-Backbone interact. energy: -3.837
local terms energy: -678.406566
where:
bonds (distance) C4'-P energy: -129.360
bonds (distance) P-C4' energy: -111.706
flat angles C4'-P-C4' energy: -131.097
flat angles P-C4'-P energy: -100.694
tors. eta vs tors. theta energy: -205.550
Dist. restrs. and SS energy: 14.774 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -2164.374622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2164.374622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2179.245976 (E_RNA)
where:
Base-Base interactions energy: -1513.595
where: short stacking energy: -629.124
Base-Backbone interact. energy: -5.541
local terms energy: -660.110497
where:
bonds (distance) C4'-P energy: -106.378
bonds (distance) P-C4' energy: -120.248
flat angles C4'-P-C4' energy: -154.790
flat angles P-C4'-P energy: -86.798
tors. eta vs tors. theta energy: -191.897
Dist. restrs. and SS energy: 14.871 (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: 9
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -2179.910285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2179.910285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2196.637723 (E_RNA)
where:
Base-Base interactions energy: -1555.543
where: short stacking energy: -659.000
Base-Backbone interact. energy: -3.855
local terms energy: -637.239936
where:
bonds (distance) C4'-P energy: -105.542
bonds (distance) P-C4' energy: -125.662
flat angles C4'-P-C4' energy: -137.436
flat angles P-C4'-P energy: -84.216
tors. eta vs tors. theta energy: -184.382
Dist. restrs. and SS energy: 16.727 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -1999.869023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1999.869023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2035.903961 (E_RNA)
where:
Base-Base interactions energy: -1433.206
where: short stacking energy: -578.680
Base-Backbone interact. energy: 2.267
local terms energy: -604.965175
where:
bonds (distance) C4'-P energy: -89.177
bonds (distance) P-C4' energy: -126.401
flat angles C4'-P-C4' energy: -140.440
flat angles P-C4'-P energy: -86.324
tors. eta vs tors. theta energy: -162.624
Dist. restrs. and SS energy: 36.035 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -2824.388328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2824.388328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2826.476038 (E_RNA)
where:
Base-Base interactions energy: -1978.694
where: short stacking energy: -840.120
Base-Backbone interact. energy: -0.061
local terms energy: -847.721533
where:
bonds (distance) C4'-P energy: -150.700
bonds (distance) P-C4' energy: -147.841
flat angles C4'-P-C4' energy: -172.793
flat angles P-C4'-P energy: -121.183
tors. eta vs tors. theta energy: -255.206
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: 10
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -2664.774568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2664.774568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2671.157501 (E_RNA)
where:
Base-Base interactions energy: -1878.946
where: short stacking energy: -775.491
Base-Backbone interact. energy: -1.590
local terms energy: -790.622214
where:
bonds (distance) C4'-P energy: -138.149
bonds (distance) P-C4' energy: -137.129
flat angles C4'-P-C4' energy: -158.357
flat angles P-C4'-P energy: -125.939
tors. eta vs tors. theta energy: -231.048
Dist. restrs. and SS energy: 6.383 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -2604.364581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2604.364581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2607.848429 (E_RNA)
where:
Base-Base interactions energy: -1802.486
where: short stacking energy: -792.657
Base-Backbone interact. energy: -3.841
local terms energy: -801.521039
where:
bonds (distance) C4'-P energy: -131.092
bonds (distance) P-C4' energy: -147.572
flat angles C4'-P-C4' energy: -161.092
flat angles P-C4'-P energy: -118.274
tors. eta vs tors. theta energy: -243.492
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: 4, replica: 5
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -2532.378378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2532.378378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2536.314428 (E_RNA)
where:
Base-Base interactions energy: -1737.599
where: short stacking energy: -740.871
Base-Backbone interact. energy: -1.755
local terms energy: -796.960554
where:
bonds (distance) C4'-P energy: -152.740
bonds (distance) P-C4' energy: -145.826
flat angles C4'-P-C4' energy: -169.662
flat angles P-C4'-P energy: -107.690
tors. eta vs tors. theta energy: -221.042
Dist. restrs. and SS energy: 3.936 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -2399.796178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2399.796178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2406.699065 (E_RNA)
where:
Base-Base interactions energy: -1673.592
where: short stacking energy: -689.517
Base-Backbone interact. energy: 0.098
local terms energy: -733.205532
where:
bonds (distance) C4'-P energy: -129.770
bonds (distance) P-C4' energy: -140.086
flat angles C4'-P-C4' energy: -165.027
flat angles P-C4'-P energy: -83.426
tors. eta vs tors. theta energy: -214.897
Dist. restrs. and SS energy: 6.903 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -2365.050188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2365.050188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2376.883096 (E_RNA)
where:
Base-Base interactions energy: -1656.425
where: short stacking energy: -689.223
Base-Backbone interact. energy: -2.873
local terms energy: -717.584903
where:
bonds (distance) C4'-P energy: -125.671
bonds (distance) P-C4' energy: -132.801
flat angles C4'-P-C4' energy: -161.806
flat angles P-C4'-P energy: -95.906
tors. eta vs tors. theta energy: -201.401
Dist. restrs. and SS energy: 11.833 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -2231.715282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2231.715282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2241.725983 (E_RNA)
where:
Base-Base interactions energy: -1579.893
where: short stacking energy: -663.431
Base-Backbone interact. energy: 0.976
local terms energy: -662.809248
where:
bonds (distance) C4'-P energy: -123.540
bonds (distance) P-C4' energy: -127.313
flat angles C4'-P-C4' energy: -121.395
flat angles P-C4'-P energy: -97.015
tors. eta vs tors. theta energy: -193.548
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: 8, replica: 9
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -2177.448313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2177.448313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2191.420597 (E_RNA)
where:
Base-Base interactions energy: -1535.093
where: short stacking energy: -652.014
Base-Backbone interact. energy: -3.448
local terms energy: -652.880116
where:
bonds (distance) C4'-P energy: -97.882
bonds (distance) P-C4' energy: -124.735
flat angles C4'-P-C4' energy: -141.744
flat angles P-C4'-P energy: -89.477
tors. eta vs tors. theta energy: -199.043
Dist. restrs. and SS energy: 13.972 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -2091.336608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2091.336608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2104.889180 (E_RNA)
where:
Base-Base interactions energy: -1490.336
where: short stacking energy: -641.557
Base-Backbone interact. energy: -1.682
local terms energy: -612.871528
where:
bonds (distance) C4'-P energy: -107.439
bonds (distance) P-C4' energy: -118.557
flat angles C4'-P-C4' energy: -124.736
flat angles P-C4'-P energy: -81.210
tors. eta vs tors. theta energy: -180.931
Dist. restrs. and SS energy: 13.553 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -2039.320396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2039.320396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2064.244390 (E_RNA)
where:
Base-Base interactions energy: -1447.228
where: short stacking energy: -594.830
Base-Backbone interact. energy: -2.395
local terms energy: -614.620571
where:
bonds (distance) C4'-P energy: -98.607
bonds (distance) P-C4' energy: -115.246
flat angles C4'-P-C4' energy: -141.826
flat angles P-C4'-P energy: -83.392
tors. eta vs tors. theta energy: -175.549
Dist. restrs. and SS energy: 24.924 (S_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: 388
Temperature: 0.900000
Total energy: -2807.311376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2807.311376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2811.915591 (E_RNA)
where:
Base-Base interactions energy: -1960.430
where: short stacking energy: -858.301
Base-Backbone interact. energy: -2.815
local terms energy: -848.671008
where:
bonds (distance) C4'-P energy: -145.023
bonds (distance) P-C4' energy: -144.761
flat angles C4'-P-C4' energy: -171.277
flat angles P-C4'-P energy: -125.479
tors. eta vs tors. theta energy: -262.131
Dist. restrs. and SS energy: 4.604 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -2673.421350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2673.421350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2678.706464 (E_RNA)
where:
Base-Base interactions energy: -1890.579
where: short stacking energy: -820.596
Base-Backbone interact. energy: -4.628
local terms energy: -783.498935
where:
bonds (distance) C4'-P energy: -132.717
bonds (distance) P-C4' energy: -128.946
flat angles C4'-P-C4' energy: -172.447
flat angles P-C4'-P energy: -114.849
tors. eta vs tors. theta energy: -234.541
Dist. restrs. and SS energy: 5.285 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -2603.795933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2603.795933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2607.532548 (E_RNA)
where:
Base-Base interactions energy: -1836.637
where: short stacking energy: -760.861
Base-Backbone interact. energy: -3.344
local terms energy: -767.550874
where:
bonds (distance) C4'-P energy: -145.077
bonds (distance) P-C4' energy: -138.460
flat angles C4'-P-C4' energy: -151.524
flat angles P-C4'-P energy: -113.486
tors. eta vs tors. theta energy: -219.003
Dist. restrs. and SS energy: 3.737 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -2530.793204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2530.793204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2533.766923 (E_RNA)
where:
Base-Base interactions energy: -1774.777
where: short stacking energy: -771.698
Base-Backbone interact. energy: -0.222
local terms energy: -758.767852
where:
bonds (distance) C4'-P energy: -149.842
bonds (distance) P-C4' energy: -126.238
flat angles C4'-P-C4' energy: -154.473
flat angles P-C4'-P energy: -102.877
tors. eta vs tors. theta energy: -225.338
Dist. restrs. and SS energy: 2.974 (S_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: 388
Temperature: 1.100000
Total energy: -2428.424237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2428.424237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2433.211046 (E_RNA)
where:
Base-Base interactions energy: -1707.880
where: short stacking energy: -725.216
Base-Backbone interact. energy: -3.092
local terms energy: -722.239303
where:
bonds (distance) C4'-P energy: -122.671
bonds (distance) P-C4' energy: -133.215
flat angles C4'-P-C4' energy: -147.949
flat angles P-C4'-P energy: -99.926
tors. eta vs tors. theta energy: -218.478
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: 6, replica: 7
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -2394.297144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2394.297144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2399.145575 (E_RNA)
where:
Base-Base interactions energy: -1662.895
where: short stacking energy: -684.065
Base-Backbone interact. energy: -2.563
local terms energy: -733.687980
where:
bonds (distance) C4'-P energy: -133.218
bonds (distance) P-C4' energy: -121.068
flat angles C4'-P-C4' energy: -158.266
flat angles P-C4'-P energy: -109.446
tors. eta vs tors. theta energy: -211.689
Dist. restrs. and SS energy: 4.848 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -2257.523029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2257.523029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2267.126324 (E_RNA)
where:
Base-Base interactions energy: -1600.730
where: short stacking energy: -688.820
Base-Backbone interact. energy: -2.877
local terms energy: -663.518934
where:
bonds (distance) C4'-P energy: -115.540
bonds (distance) P-C4' energy: -115.000
flat angles C4'-P-C4' energy: -140.539
flat angles P-C4'-P energy: -98.197
tors. eta vs tors. theta energy: -194.243
Dist. restrs. and SS energy: 9.603 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -2197.380924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2197.380924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2213.766284 (E_RNA)
where:
Base-Base interactions energy: -1577.401
where: short stacking energy: -643.584
Base-Backbone interact. energy: -3.953
local terms energy: -632.411810
where:
bonds (distance) C4'-P energy: -114.115
bonds (distance) P-C4' energy: -109.360
flat angles C4'-P-C4' energy: -132.282
flat angles P-C4'-P energy: -94.434
tors. eta vs tors. theta energy: -182.220
Dist. restrs. and SS energy: 16.385 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -2070.657627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2070.657627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2094.396691 (E_RNA)
where:
Base-Base interactions energy: -1497.002
where: short stacking energy: -606.339
Base-Backbone interact. energy: -3.605
local terms energy: -593.789409
where:
bonds (distance) C4'-P energy: -112.628
bonds (distance) P-C4' energy: -118.852
flat angles C4'-P-C4' energy: -126.923
flat angles P-C4'-P energy: -74.979
tors. eta vs tors. theta energy: -160.407
Dist. restrs. and SS energy: 23.739 (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: 6
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -1960.752646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.752646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1974.490578 (E_RNA)
where:
Base-Base interactions energy: -1380.632
where: short stacking energy: -575.546
Base-Backbone interact. energy: -0.569
local terms energy: -593.289191
where:
bonds (distance) C4'-P energy: -119.674
bonds (distance) P-C4' energy: -119.351
flat angles C4'-P-C4' energy: -126.291
flat angles P-C4'-P energy: -68.151
tors. eta vs tors. theta energy: -159.821
Dist. restrs. and SS energy: 13.738 (S_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: 389
Temperature: 0.900000
Total energy: -2791.425816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2791.425816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2794.419315 (E_RNA)
where:
Base-Base interactions energy: -1977.358
where: short stacking energy: -816.998
Base-Backbone interact. energy: -3.121
local terms energy: -813.940111
where:
bonds (distance) C4'-P energy: -131.800
bonds (distance) P-C4' energy: -144.072
flat angles C4'-P-C4' energy: -173.253
flat angles P-C4'-P energy: -116.005
tors. eta vs tors. theta energy: -248.811
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: 2, replica: 10
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -2652.376054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2652.376054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2655.839293 (E_RNA)
where:
Base-Base interactions energy: -1869.415
where: short stacking energy: -782.018
Base-Backbone interact. energy: -1.162
local terms energy: -785.262169
where:
bonds (distance) C4'-P energy: -125.664
bonds (distance) P-C4' energy: -153.024
flat angles C4'-P-C4' energy: -163.333
flat angles P-C4'-P energy: -116.772
tors. eta vs tors. theta energy: -226.469
Dist. restrs. and SS energy: 3.463 (S_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: 389
Temperature: 1.000000
Total energy: -2602.598407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2602.598407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2608.104703 (E_RNA)
where:
Base-Base interactions energy: -1806.971
where: short stacking energy: -770.733
Base-Backbone interact. energy: -0.480
local terms energy: -800.653508
where:
bonds (distance) C4'-P energy: -149.867
bonds (distance) P-C4' energy: -124.401
flat angles C4'-P-C4' energy: -176.874
flat angles P-C4'-P energy: -123.664
tors. eta vs tors. theta energy: -225.847
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: 4, replica: 8
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -2566.527483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2566.527483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2568.301911 (E_RNA)
where:
Base-Base interactions energy: -1799.725
where: short stacking energy: -800.035
Base-Backbone interact. energy: -4.511
local terms energy: -764.065530
where:
bonds (distance) C4'-P energy: -121.165
bonds (distance) P-C4' energy: -132.239
flat angles C4'-P-C4' energy: -168.925
flat angles P-C4'-P energy: -95.903
tors. eta vs tors. theta energy: -245.834
Dist. restrs. and SS energy: 1.774 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -2383.668274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2383.668274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2388.965333 (E_RNA)
where:
Base-Base interactions energy: -1675.285
where: short stacking energy: -705.307
Base-Backbone interact. energy: -4.511
local terms energy: -709.169453
where:
bonds (distance) C4'-P energy: -131.001
bonds (distance) P-C4' energy: -134.449
flat angles C4'-P-C4' energy: -141.206
flat angles P-C4'-P energy: -106.605
tors. eta vs tors. theta energy: -195.908
Dist. restrs. and SS energy: 5.297 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -2378.959706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2378.959706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2387.297154 (E_RNA)
where:
Base-Base interactions energy: -1664.523
where: short stacking energy: -696.156
Base-Backbone interact. energy: -2.988
local terms energy: -719.786495
where:
bonds (distance) C4'-P energy: -129.837
bonds (distance) P-C4' energy: -133.959
flat angles C4'-P-C4' energy: -143.297
flat angles P-C4'-P energy: -100.021
tors. eta vs tors. theta energy: -212.672
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: 7, replica: 1
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -2249.179302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2249.179302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2255.706896 (E_RNA)
where:
Base-Base interactions energy: -1582.526
where: short stacking energy: -644.435
Base-Backbone interact. energy: -1.432
local terms energy: -671.748517
where:
bonds (distance) C4'-P energy: -118.588
bonds (distance) P-C4' energy: -124.343
flat angles C4'-P-C4' energy: -136.114
flat angles P-C4'-P energy: -98.332
tors. eta vs tors. theta energy: -194.371
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: 8, replica: 9
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -2136.770867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2136.770867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2148.940361 (E_RNA)
where:
Base-Base interactions energy: -1530.353
where: short stacking energy: -646.655
Base-Backbone interact. energy: 1.842
local terms energy: -620.429452
where:
bonds (distance) C4'-P energy: -100.227
bonds (distance) P-C4' energy: -119.497
flat angles C4'-P-C4' energy: -138.881
flat angles P-C4'-P energy: -74.826
tors. eta vs tors. theta energy: -187.000
Dist. restrs. and SS energy: 12.169 (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: 4
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -2073.173048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2073.173048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2097.679540 (E_RNA)
where:
Base-Base interactions energy: -1461.488
where: short stacking energy: -615.179
Base-Backbone interact. energy: 8.367
local terms energy: -644.558549
where:
bonds (distance) C4'-P energy: -111.749
bonds (distance) P-C4' energy: -114.719
flat angles C4'-P-C4' energy: -150.600
flat angles P-C4'-P energy: -83.935
tors. eta vs tors. theta energy: -183.556
Dist. restrs. and SS energy: 24.506 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -1911.646788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1911.646788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1929.915064 (E_RNA)
where:
Base-Base interactions energy: -1374.593
where: short stacking energy: -546.073
Base-Backbone interact. energy: -2.427
local terms energy: -552.895092
where:
bonds (distance) C4'-P energy: -110.471
bonds (distance) P-C4' energy: -118.187
flat angles C4'-P-C4' energy: -104.546
flat angles P-C4'-P energy: -65.250
tors. eta vs tors. theta energy: -154.442
Dist. restrs. and SS energy: 18.268 (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: 2
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -2803.388921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2803.388921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2806.783794 (E_RNA)
where:
Base-Base interactions energy: -1957.367
where: short stacking energy: -817.252
Base-Backbone interact. energy: -1.050
local terms energy: -848.366076
where:
bonds (distance) C4'-P energy: -145.608
bonds (distance) P-C4' energy: -143.599
flat angles C4'-P-C4' energy: -182.975
flat angles P-C4'-P energy: -127.832
tors. eta vs tors. theta energy: -248.352
Dist. restrs. and SS energy: 3.395 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -2672.549103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2672.549103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2678.185195 (E_RNA)
where:
Base-Base interactions energy: -1877.847
where: short stacking energy: -801.633
Base-Backbone interact. energy: -3.053
local terms energy: -797.285481
where:
bonds (distance) C4'-P energy: -140.305
bonds (distance) P-C4' energy: -138.112
flat angles C4'-P-C4' energy: -164.020
flat angles P-C4'-P energy: -117.886
tors. eta vs tors. theta energy: -236.963
Dist. restrs. and SS energy: 5.636 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -2609.113285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2609.113285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2613.839031 (E_RNA)
where:
Base-Base interactions energy: -1808.076
where: short stacking energy: -769.586
Base-Backbone interact. energy: -4.470
local terms energy: -801.292641
where:
bonds (distance) C4'-P energy: -148.445
bonds (distance) P-C4' energy: -133.179
flat angles C4'-P-C4' energy: -168.307
flat angles P-C4'-P energy: -118.425
tors. eta vs tors. theta energy: -232.937
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: 4, replica: 8
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -2568.489991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2568.489991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2571.381882 (E_RNA)
where:
Base-Base interactions energy: -1798.080
where: short stacking energy: -777.364
Base-Backbone interact. energy: -5.623
local terms energy: -767.678796
where:
bonds (distance) C4'-P energy: -131.149
bonds (distance) P-C4' energy: -144.863
flat angles C4'-P-C4' energy: -154.575
flat angles P-C4'-P energy: -106.134
tors. eta vs tors. theta energy: -230.957
Dist. restrs. and SS energy: 2.892 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -2388.392696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2388.392696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2394.899366 (E_RNA)
where:
Base-Base interactions energy: -1646.740
where: short stacking energy: -687.471
Base-Backbone interact. energy: -3.296
local terms energy: -744.863716
where:
bonds (distance) C4'-P energy: -132.801
bonds (distance) P-C4' energy: -128.777
flat angles C4'-P-C4' energy: -162.016
flat angles P-C4'-P energy: -105.344
tors. eta vs tors. theta energy: -215.926
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: 6, replica: 7
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -2363.315956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2363.315956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2370.697263 (E_RNA)
where:
Base-Base interactions energy: -1656.457
where: short stacking energy: -673.205
Base-Backbone interact. energy: -3.478
local terms energy: -710.761898
where:
bonds (distance) C4'-P energy: -123.577
bonds (distance) P-C4' energy: -123.845
flat angles C4'-P-C4' energy: -150.923
flat angles P-C4'-P energy: -110.935
tors. eta vs tors. theta energy: -201.482
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: 7, replica: 1
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -2226.970684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2226.970684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2239.344924 (E_RNA)
where:
Base-Base interactions energy: -1565.137
where: short stacking energy: -627.169
Base-Backbone interact. energy: 0.153
local terms energy: -674.361861
where:
bonds (distance) C4'-P energy: -114.597
bonds (distance) P-C4' energy: -136.530
flat angles C4'-P-C4' energy: -142.499
flat angles P-C4'-P energy: -105.437
tors. eta vs tors. theta energy: -175.299
Dist. restrs. and SS energy: 12.374 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -2177.802574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2177.802574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2186.257647 (E_RNA)
where:
Base-Base interactions energy: -1523.137
where: short stacking energy: -640.087
Base-Backbone interact. energy: -0.768
local terms energy: -662.351685
where:
bonds (distance) C4'-P energy: -108.156
bonds (distance) P-C4' energy: -136.798
flat angles C4'-P-C4' energy: -152.948
flat angles P-C4'-P energy: -80.425
tors. eta vs tors. theta energy: -184.024
Dist. restrs. and SS energy: 8.455 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -2090.176992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2090.176992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2110.756819 (E_RNA)
where:
Base-Base interactions energy: -1478.711
where: short stacking energy: -620.452
Base-Backbone interact. energy: -0.945
local terms energy: -631.101020
where:
bonds (distance) C4'-P energy: -123.664
bonds (distance) P-C4' energy: -107.820
flat angles C4'-P-C4' energy: -132.849
flat angles P-C4'-P energy: -80.986
tors. eta vs tors. theta energy: -185.781
Dist. restrs. and SS energy: 20.580 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -1907.270576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.270576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.406416 (E_RNA)
where:
Base-Base interactions energy: -1377.878
where: short stacking energy: -552.607
Base-Backbone interact. energy: 0.268
local terms energy: -553.796294
where:
bonds (distance) C4'-P energy: -97.349
bonds (distance) P-C4' energy: -128.161
flat angles C4'-P-C4' energy: -113.650
flat angles P-C4'-P energy: -68.012
tors. eta vs tors. theta energy: -146.625
Dist. restrs. and SS energy: 24.136 (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: 2
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -2797.463895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2797.463895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2801.707145 (E_RNA)
where:
Base-Base interactions energy: -1956.943
where: short stacking energy: -824.246
Base-Backbone interact. energy: -1.707
local terms energy: -843.057285
where:
bonds (distance) C4'-P energy: -148.287
bonds (distance) P-C4' energy: -137.623
flat angles C4'-P-C4' energy: -180.775
flat angles P-C4'-P energy: -124.022
tors. eta vs tors. theta energy: -252.350
Dist. restrs. and SS energy: 4.243 (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: 10
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -2679.634104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2679.634104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2685.008454 (E_RNA)
where:
Base-Base interactions energy: -1872.603
where: short stacking energy: -787.211
Base-Backbone interact. energy: -1.690
local terms energy: -810.714713
where:
bonds (distance) C4'-P energy: -140.128
bonds (distance) P-C4' energy: -145.111
flat angles C4'-P-C4' energy: -172.050
flat angles P-C4'-P energy: -118.045
tors. eta vs tors. theta energy: -235.381
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: 3, replica: 5
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -2596.540352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2596.540352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2599.706858 (E_RNA)
where:
Base-Base interactions energy: -1840.312
where: short stacking energy: -770.085
Base-Backbone interact. energy: -2.005
local terms energy: -757.389476
where:
bonds (distance) C4'-P energy: -128.310
bonds (distance) P-C4' energy: -119.398
flat angles C4'-P-C4' energy: -164.287
flat angles P-C4'-P energy: -120.595
tors. eta vs tors. theta energy: -224.800
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: 4, replica: 8
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -2538.494693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2538.494693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2543.705654 (E_RNA)
where:
Base-Base interactions energy: -1781.874
where: short stacking energy: -736.276
Base-Backbone interact. energy: 2.689
local terms energy: -764.520474
where:
bonds (distance) C4'-P energy: -139.820
bonds (distance) P-C4' energy: -144.142
flat angles C4'-P-C4' energy: -154.033
flat angles P-C4'-P energy: -108.123
tors. eta vs tors. theta energy: -218.402
Dist. restrs. and SS energy: 5.211 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -2429.183237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2429.183237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2438.379863 (E_RNA)
where:
Base-Base interactions energy: -1694.123
where: short stacking energy: -754.704
Base-Backbone interact. energy: -2.971
local terms energy: -741.286435
where:
bonds (distance) C4'-P energy: -133.326
bonds (distance) P-C4' energy: -121.049
flat angles C4'-P-C4' energy: -154.965
flat angles P-C4'-P energy: -113.469
tors. eta vs tors. theta energy: -218.478
Dist. restrs. and SS energy: 9.197 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -2351.439697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2351.439697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2363.256520 (E_RNA)
where:
Base-Base interactions energy: -1653.410
where: short stacking energy: -704.746
Base-Backbone interact. energy: 2.142
local terms energy: -711.988037
where:
bonds (distance) C4'-P energy: -128.306
bonds (distance) P-C4' energy: -120.749
flat angles C4'-P-C4' energy: -145.958
flat angles P-C4'-P energy: -110.002
tors. eta vs tors. theta energy: -206.973
Dist. restrs. and SS energy: 11.817 (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: 1
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -2241.921722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2241.921722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2250.676018 (E_RNA)
where:
Base-Base interactions energy: -1622.190
where: short stacking energy: -657.100
Base-Backbone interact. energy: -2.855
local terms energy: -625.630479
where:
bonds (distance) C4'-P energy: -115.950
bonds (distance) P-C4' energy: -103.488
flat angles C4'-P-C4' energy: -142.784
flat angles P-C4'-P energy: -82.737
tors. eta vs tors. theta energy: -180.671
Dist. restrs. and SS energy: 8.754 (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: 391
Temperature: 1.250000
Total energy: -2167.697426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2167.697426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2181.079048 (E_RNA)
where:
Base-Base interactions energy: -1499.165
where: short stacking energy: -642.603
Base-Backbone interact. energy: -0.702
local terms energy: -681.212360
where:
bonds (distance) C4'-P energy: -124.305
bonds (distance) P-C4' energy: -130.126
flat angles C4'-P-C4' energy: -141.982
flat angles P-C4'-P energy: -97.233
tors. eta vs tors. theta energy: -187.565
Dist. restrs. and SS energy: 13.382 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -2070.513285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2070.513285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2084.802983 (E_RNA)
where:
Base-Base interactions energy: -1477.134
where: short stacking energy: -598.612
Base-Backbone interact. energy: 5.173
local terms energy: -612.841893
where:
bonds (distance) C4'-P energy: -101.657
bonds (distance) P-C4' energy: -121.092
flat angles C4'-P-C4' energy: -122.725
flat angles P-C4'-P energy: -83.559
tors. eta vs tors. theta energy: -183.808
Dist. restrs. and SS energy: 14.290 (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: 6
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -1894.667294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.667294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.602653 (E_RNA)
where:
Base-Base interactions energy: -1374.260
where: short stacking energy: -550.998
Base-Backbone interact. energy: -3.688
local terms energy: -544.654665
where:
bonds (distance) C4'-P energy: -87.787
bonds (distance) P-C4' energy: -88.280
flat angles C4'-P-C4' energy: -143.893
flat angles P-C4'-P energy: -78.363
tors. eta vs tors. theta energy: -146.331
Dist. restrs. and SS energy: 27.935 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -2824.699658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2824.699658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2826.900843 (E_RNA)
where:
Base-Base interactions energy: -1973.215
where: short stacking energy: -840.515
Base-Backbone interact. energy: -2.660
local terms energy: -851.025845
where:
bonds (distance) C4'-P energy: -149.349
bonds (distance) P-C4' energy: -149.174
flat angles C4'-P-C4' energy: -180.107
flat angles P-C4'-P energy: -115.327
tors. eta vs tors. theta energy: -257.069
Dist. restrs. and SS energy: 2.201 (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: 10
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -2671.668474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2671.668474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2677.499863 (E_RNA)
where:
Base-Base interactions energy: -1905.627
where: short stacking energy: -787.564
Base-Backbone interact. energy: -4.076
local terms energy: -767.796570
where:
bonds (distance) C4'-P energy: -128.113
bonds (distance) P-C4' energy: -132.725
flat angles C4'-P-C4' energy: -174.488
flat angles P-C4'-P energy: -102.401
tors. eta vs tors. theta energy: -230.070
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: 3, replica: 5
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -2605.922650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2605.922650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2609.826699 (E_RNA)
where:
Base-Base interactions energy: -1840.279
where: short stacking energy: -780.278
Base-Backbone interact. energy: -2.423
local terms energy: -767.123788
where:
bonds (distance) C4'-P energy: -132.630
bonds (distance) P-C4' energy: -139.174
flat angles C4'-P-C4' energy: -158.638
flat angles P-C4'-P energy: -104.912
tors. eta vs tors. theta energy: -231.770
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: 8
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -2551.534845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2551.534845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2556.195311 (E_RNA)
where:
Base-Base interactions energy: -1783.918
where: short stacking energy: -742.443
Base-Backbone interact. energy: 3.883
local terms energy: -776.160986
where:
bonds (distance) C4'-P energy: -144.642
bonds (distance) P-C4' energy: -130.733
flat angles C4'-P-C4' energy: -164.518
flat angles P-C4'-P energy: -113.431
tors. eta vs tors. theta energy: -222.836
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: 5, replica: 3
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -2459.101389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2459.101389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2465.702254 (E_RNA)
where:
Base-Base interactions energy: -1703.120
where: short stacking energy: -724.424
Base-Backbone interact. energy: -3.313
local terms energy: -759.269481
where:
bonds (distance) C4'-P energy: -140.855
bonds (distance) P-C4' energy: -139.581
flat angles C4'-P-C4' energy: -154.178
flat angles P-C4'-P energy: -104.439
tors. eta vs tors. theta energy: -220.216
Dist. restrs. and SS energy: 6.601 (S_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: 392
Temperature: 1.150000
Total energy: -2371.428448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2371.428448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2377.816303 (E_RNA)
where:
Base-Base interactions energy: -1674.674
where: short stacking energy: -707.596
Base-Backbone interact. energy: -2.915
local terms energy: -700.227486
where:
bonds (distance) C4'-P energy: -112.267
bonds (distance) P-C4' energy: -141.701
flat angles C4'-P-C4' energy: -153.174
flat angles P-C4'-P energy: -84.828
tors. eta vs tors. theta energy: -208.257
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: 7, replica: 1
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -2292.655707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2292.655707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2302.066017 (E_RNA)
where:
Base-Base interactions energy: -1597.124
where: short stacking energy: -684.423
Base-Backbone interact. energy: -3.946
local terms energy: -700.996333
where:
bonds (distance) C4'-P energy: -110.786
bonds (distance) P-C4' energy: -139.497
flat angles C4'-P-C4' energy: -141.244
flat angles P-C4'-P energy: -93.998
tors. eta vs tors. theta energy: -215.471
Dist. restrs. and SS energy: 9.410 (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: 9
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -2176.537384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2176.537384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2183.372419 (E_RNA)
where:
Base-Base interactions energy: -1532.920
where: short stacking energy: -637.666
Base-Backbone interact. energy: -1.133
local terms energy: -649.319160
where:
bonds (distance) C4'-P energy: -108.468
bonds (distance) P-C4' energy: -112.829
flat angles C4'-P-C4' energy: -150.692
flat angles P-C4'-P energy: -89.593
tors. eta vs tors. theta energy: -187.737
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: 9, replica: 4
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -2058.021309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2058.021309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2075.594332 (E_RNA)
where:
Base-Base interactions energy: -1467.908
where: short stacking energy: -607.799
Base-Backbone interact. energy: -1.406
local terms energy: -606.280137
where:
bonds (distance) C4'-P energy: -102.539
bonds (distance) P-C4' energy: -103.085
flat angles C4'-P-C4' energy: -144.671
flat angles P-C4'-P energy: -82.410
tors. eta vs tors. theta energy: -173.575
Dist. restrs. and SS energy: 17.573 (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: 6
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -1975.951363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1975.951363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.853495 (E_RNA)
where:
Base-Base interactions energy: -1391.373
where: short stacking energy: -566.574
Base-Backbone interact. energy: 0.713
local terms energy: -612.193058
where:
bonds (distance) C4'-P energy: -136.035
bonds (distance) P-C4' energy: -118.321
flat angles C4'-P-C4' energy: -135.412
flat angles P-C4'-P energy: -69.333
tors. eta vs tors. theta energy: -153.091
Dist. restrs. and SS energy: 26.902 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -2835.408793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2835.408793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2838.836808 (E_RNA)
where:
Base-Base interactions energy: -1981.320
where: short stacking energy: -830.242
Base-Backbone interact. energy: -2.013
local terms energy: -855.504655
where:
bonds (distance) C4'-P energy: -148.465
bonds (distance) P-C4' energy: -166.655
flat angles C4'-P-C4' energy: -170.735
flat angles P-C4'-P energy: -116.077
tors. eta vs tors. theta energy: -253.572
Dist. restrs. and SS energy: 3.428 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -2650.886583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2650.886583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2654.526750 (E_RNA)
where:
Base-Base interactions energy: -1846.791
where: short stacking energy: -794.542
Base-Backbone interact. energy: 1.002
local terms energy: -808.737501
where:
bonds (distance) C4'-P energy: -146.188
bonds (distance) P-C4' energy: -144.915
flat angles C4'-P-C4' energy: -160.944
flat angles P-C4'-P energy: -113.593
tors. eta vs tors. theta energy: -243.097
Dist. restrs. and SS energy: 3.640 (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: 10
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -2624.932111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2624.932111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2631.526868 (E_RNA)
where:
Base-Base interactions energy: -1872.437
where: short stacking energy: -784.861
Base-Backbone interact. energy: 0.822
local terms energy: -759.911943
where:
bonds (distance) C4'-P energy: -135.199
bonds (distance) P-C4' energy: -145.393
flat angles C4'-P-C4' energy: -159.502
flat angles P-C4'-P energy: -89.284
tors. eta vs tors. theta energy: -230.535
Dist. restrs. and SS energy: 6.595 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -2535.190417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2535.190417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2538.834631 (E_RNA)
where:
Base-Base interactions energy: -1765.457
where: short stacking energy: -741.195
Base-Backbone interact. energy: -2.089
local terms energy: -771.288899
where:
bonds (distance) C4'-P energy: -129.406
bonds (distance) P-C4' energy: -145.202
flat angles C4'-P-C4' energy: -163.599
flat angles P-C4'-P energy: -112.123
tors. eta vs tors. theta energy: -220.958
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: 5, replica: 3
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -2440.972646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2440.972646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2451.809728 (E_RNA)
where:
Base-Base interactions energy: -1698.325
where: short stacking energy: -735.080
Base-Backbone interact. energy: -0.720
local terms energy: -752.765006
where:
bonds (distance) C4'-P energy: -135.327
bonds (distance) P-C4' energy: -129.794
flat angles C4'-P-C4' energy: -157.840
flat angles P-C4'-P energy: -116.950
tors. eta vs tors. theta energy: -212.854
Dist. restrs. and SS energy: 10.837 (S_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: 393
Temperature: 1.150000
Total energy: -2347.689761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2347.689761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2352.892447 (E_RNA)
where:
Base-Base interactions energy: -1624.610
where: short stacking energy: -708.249
Base-Backbone interact. energy: -2.117
local terms energy: -726.164841
where:
bonds (distance) C4'-P energy: -132.728
bonds (distance) P-C4' energy: -103.667
flat angles C4'-P-C4' energy: -164.864
flat angles P-C4'-P energy: -111.947
tors. eta vs tors. theta energy: -212.958
Dist. restrs. and SS energy: 5.203 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -2244.272884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2244.272884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2254.110439 (E_RNA)
where:
Base-Base interactions energy: -1558.385
where: short stacking energy: -633.581
Base-Backbone interact. energy: -2.487
local terms energy: -693.237847
where:
bonds (distance) C4'-P energy: -123.095
bonds (distance) P-C4' energy: -131.048
flat angles C4'-P-C4' energy: -145.667
flat angles P-C4'-P energy: -95.453
tors. eta vs tors. theta energy: -197.975
Dist. restrs. and SS energy: 9.838 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -2171.120455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2171.120455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2178.432879 (E_RNA)
where:
Base-Base interactions energy: -1550.064
where: short stacking energy: -657.882
Base-Backbone interact. energy: -0.392
local terms energy: -627.976178
where:
bonds (distance) C4'-P energy: -131.714
bonds (distance) P-C4' energy: -93.325
flat angles C4'-P-C4' energy: -124.158
flat angles P-C4'-P energy: -89.582
tors. eta vs tors. theta energy: -189.197
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: 9, replica: 4
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -2091.847065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2091.847065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2109.403228 (E_RNA)
where:
Base-Base interactions energy: -1456.379
where: short stacking energy: -606.232
Base-Backbone interact. energy: -4.167
local terms energy: -648.858047
where:
bonds (distance) C4'-P energy: -115.668
bonds (distance) P-C4' energy: -125.367
flat angles C4'-P-C4' energy: -126.684
flat angles P-C4'-P energy: -93.671
tors. eta vs tors. theta energy: -187.467
Dist. restrs. and SS energy: 17.556 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -1945.372826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1945.372826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1973.670435 (E_RNA)
where:
Base-Base interactions energy: -1385.135
where: short stacking energy: -549.974
Base-Backbone interact. energy: -2.609
local terms energy: -585.927175
where:
bonds (distance) C4'-P energy: -98.487
bonds (distance) P-C4' energy: -118.770
flat angles C4'-P-C4' energy: -138.272
flat angles P-C4'-P energy: -71.096
tors. eta vs tors. theta energy: -159.302
Dist. restrs. and SS energy: 28.298 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -2817.030827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2817.030827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2820.170571 (E_RNA)
where:
Base-Base interactions energy: -1993.128
where: short stacking energy: -866.977
Base-Backbone interact. energy: 0.314
local terms energy: -827.357292
where:
bonds (distance) C4'-P energy: -139.813
bonds (distance) P-C4' energy: -144.779
flat angles C4'-P-C4' energy: -169.614
flat angles P-C4'-P energy: -124.592
tors. eta vs tors. theta energy: -248.561
Dist. restrs. and SS energy: 3.140 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -2670.001639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2670.001639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2672.799887 (E_RNA)
where:
Base-Base interactions energy: -1868.200
where: short stacking energy: -794.627
Base-Backbone interact. energy: -6.507
local terms energy: -798.092769
where:
bonds (distance) C4'-P energy: -133.215
bonds (distance) P-C4' energy: -147.264
flat angles C4'-P-C4' energy: -168.620
flat angles P-C4'-P energy: -110.997
tors. eta vs tors. theta energy: -237.997
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: 394
Temperature: 1.000000
Total energy: -2587.501822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2587.501822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2592.376992 (E_RNA)
where:
Base-Base interactions energy: -1833.044
where: short stacking energy: -754.106
Base-Backbone interact. energy: -2.039
local terms energy: -757.293677
where:
bonds (distance) C4'-P energy: -134.973
bonds (distance) P-C4' energy: -122.778
flat angles C4'-P-C4' energy: -160.170
flat angles P-C4'-P energy: -105.878
tors. eta vs tors. theta energy: -233.494
Dist. restrs. and SS energy: 4.875 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -2566.339618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2566.339618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2568.458063 (E_RNA)
where:
Base-Base interactions energy: -1806.866
where: short stacking energy: -763.768
Base-Backbone interact. energy: -6.602
local terms energy: -754.990548
where:
bonds (distance) C4'-P energy: -110.468
bonds (distance) P-C4' energy: -127.081
flat angles C4'-P-C4' energy: -169.006
flat angles P-C4'-P energy: -115.852
tors. eta vs tors. theta energy: -232.585
Dist. restrs. and SS energy: 2.118 (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: 3
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -2429.337844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2429.337844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2436.353876 (E_RNA)
where:
Base-Base interactions energy: -1700.800
where: short stacking energy: -730.416
Base-Backbone interact. energy: -0.106
local terms energy: -735.448306
where:
bonds (distance) C4'-P energy: -121.661
bonds (distance) P-C4' energy: -128.058
flat angles C4'-P-C4' energy: -161.397
flat angles P-C4'-P energy: -96.798
tors. eta vs tors. theta energy: -227.535
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: 6, replica: 7
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -2407.280180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2407.280180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2414.722450 (E_RNA)
where:
Base-Base interactions energy: -1673.338
where: short stacking energy: -700.683
Base-Backbone interact. energy: -1.466
local terms energy: -739.918658
where:
bonds (distance) C4'-P energy: -127.476
bonds (distance) P-C4' energy: -125.655
flat angles C4'-P-C4' energy: -157.412
flat angles P-C4'-P energy: -108.307
tors. eta vs tors. theta energy: -221.069
Dist. restrs. and SS energy: 7.442 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -2262.246569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2262.246569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2271.153893 (E_RNA)
where:
Base-Base interactions energy: -1612.931
where: short stacking energy: -693.118
Base-Backbone interact. energy: -0.377
local terms energy: -657.845518
where:
bonds (distance) C4'-P energy: -97.456
bonds (distance) P-C4' energy: -129.722
flat angles C4'-P-C4' energy: -155.244
flat angles P-C4'-P energy: -81.142
tors. eta vs tors. theta energy: -194.282
Dist. restrs. and SS energy: 8.907 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -2166.472446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2166.472446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2176.511030 (E_RNA)
where:
Base-Base interactions energy: -1545.083
where: short stacking energy: -615.801
Base-Backbone interact. energy: 1.536
local terms energy: -632.964473
where:
bonds (distance) C4'-P energy: -129.425
bonds (distance) P-C4' energy: -119.883
flat angles C4'-P-C4' energy: -121.317
flat angles P-C4'-P energy: -87.039
tors. eta vs tors. theta energy: -175.300
Dist. restrs. and SS energy: 10.039 (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: 4
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -2068.694885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2068.694885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2084.677845 (E_RNA)
where:
Base-Base interactions energy: -1451.741
where: short stacking energy: -583.645
Base-Backbone interact. energy: 1.838
local terms energy: -634.774364
where:
bonds (distance) C4'-P energy: -113.614
bonds (distance) P-C4' energy: -118.682
flat angles C4'-P-C4' energy: -131.505
flat angles P-C4'-P energy: -95.436
tors. eta vs tors. theta energy: -175.537
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: 10, replica: 6
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -1959.763585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.763585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1980.957637 (E_RNA)
where:
Base-Base interactions energy: -1412.437
where: short stacking energy: -560.323
Base-Backbone interact. energy: 5.443
local terms energy: -573.964111
where:
bonds (distance) C4'-P energy: -104.403
bonds (distance) P-C4' energy: -102.203
flat angles C4'-P-C4' energy: -133.769
flat angles P-C4'-P energy: -86.105
tors. eta vs tors. theta energy: -147.483
Dist. restrs. and SS energy: 21.194 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -2793.241645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2793.241645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2797.391237 (E_RNA)
where:
Base-Base interactions energy: -1951.083
where: short stacking energy: -803.449
Base-Backbone interact. energy: -4.285
local terms energy: -842.023134
where:
bonds (distance) C4'-P energy: -152.010
bonds (distance) P-C4' energy: -141.949
flat angles C4'-P-C4' energy: -178.373
flat angles P-C4'-P energy: -122.131
tors. eta vs tors. theta energy: -247.560
Dist. restrs. and SS energy: 4.150 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -2634.957717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2634.957717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2640.893366 (E_RNA)
where:
Base-Base interactions energy: -1840.420
where: short stacking energy: -784.989
Base-Backbone interact. energy: -2.845
local terms energy: -797.628491
where:
bonds (distance) C4'-P energy: -152.679
bonds (distance) P-C4' energy: -143.625
flat angles C4'-P-C4' energy: -154.732
flat angles P-C4'-P energy: -117.802
tors. eta vs tors. theta energy: -228.791
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: 3, replica: 10
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -2602.394190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2602.394190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2610.485347 (E_RNA)
where:
Base-Base interactions energy: -1845.140
where: short stacking energy: -748.581
Base-Backbone interact. energy: -3.566
local terms energy: -761.779217
where:
bonds (distance) C4'-P energy: -129.854
bonds (distance) P-C4' energy: -141.213
flat angles C4'-P-C4' energy: -160.047
flat angles P-C4'-P energy: -112.387
tors. eta vs tors. theta energy: -218.278
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: 4, replica: 8
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -2546.353556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2546.353556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2550.894843 (E_RNA)
where:
Base-Base interactions energy: -1782.436
where: short stacking energy: -752.215
Base-Backbone interact. energy: -2.321
local terms energy: -766.137579
where:
bonds (distance) C4'-P energy: -131.853
bonds (distance) P-C4' energy: -144.746
flat angles C4'-P-C4' energy: -164.053
flat angles P-C4'-P energy: -100.788
tors. eta vs tors. theta energy: -224.698
Dist. restrs. and SS energy: 4.541 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -2432.742956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2432.742956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2438.895029 (E_RNA)
where:
Base-Base interactions energy: -1685.338
where: short stacking energy: -705.947
Base-Backbone interact. energy: -3.623
local terms energy: -749.933580
where:
bonds (distance) C4'-P energy: -148.926
bonds (distance) P-C4' energy: -128.235
flat angles C4'-P-C4' energy: -155.069
flat angles P-C4'-P energy: -117.229
tors. eta vs tors. theta energy: -200.475
Dist. restrs. and SS energy: 6.152 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -2385.780461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2385.780461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2394.711309 (E_RNA)
where:
Base-Base interactions energy: -1652.193
where: short stacking energy: -688.652
Base-Backbone interact. energy: -1.217
local terms energy: -741.301852
where:
bonds (distance) C4'-P energy: -144.124
bonds (distance) P-C4' energy: -137.683
flat angles C4'-P-C4' energy: -145.073
flat angles P-C4'-P energy: -99.606
tors. eta vs tors. theta energy: -214.816
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: 7, replica: 9
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -2249.764604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2249.764604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2255.757375 (E_RNA)
where:
Base-Base interactions energy: -1586.622
where: short stacking energy: -665.320
Base-Backbone interact. energy: 1.591
local terms energy: -670.726436
where:
bonds (distance) C4'-P energy: -122.051
bonds (distance) P-C4' energy: -121.138
flat angles C4'-P-C4' energy: -148.255
flat angles P-C4'-P energy: -84.589
tors. eta vs tors. theta energy: -194.693
Dist. restrs. and SS energy: 5.993 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -2168.241621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2168.241621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2180.680354 (E_RNA)
where:
Base-Base interactions energy: -1539.482
where: short stacking energy: -673.041
Base-Backbone interact. energy: -3.568
local terms energy: -637.630663
where:
bonds (distance) C4'-P energy: -106.499
bonds (distance) P-C4' energy: -111.758
flat angles C4'-P-C4' energy: -142.176
flat angles P-C4'-P energy: -84.220
tors. eta vs tors. theta energy: -192.977
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: 4
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -2081.424793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2081.424793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2096.189801 (E_RNA)
where:
Base-Base interactions energy: -1468.983
where: short stacking energy: -612.073
Base-Backbone interact. energy: -0.764
local terms energy: -626.442245
where:
bonds (distance) C4'-P energy: -109.995
bonds (distance) P-C4' energy: -99.184
flat angles C4'-P-C4' energy: -141.759
flat angles P-C4'-P energy: -87.905
tors. eta vs tors. theta energy: -187.600
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: 10, replica: 6
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -1878.876965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.876965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1910.932045 (E_RNA)
where:
Base-Base interactions energy: -1353.158
where: short stacking energy: -548.904
Base-Backbone interact. energy: 3.717
local terms energy: -561.491363
where:
bonds (distance) C4'-P energy: -110.756
bonds (distance) P-C4' energy: -111.919
flat angles C4'-P-C4' energy: -118.483
flat angles P-C4'-P energy: -64.954
tors. eta vs tors. theta energy: -155.379
Dist. restrs. and SS energy: 32.055 (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: 2
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -2813.555211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2813.555211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2816.670478 (E_RNA)
where:
Base-Base interactions energy: -1979.810
where: short stacking energy: -855.326
Base-Backbone interact. energy: -1.826
local terms energy: -835.034986
where:
bonds (distance) C4'-P energy: -136.377
bonds (distance) P-C4' energy: -140.205
flat angles C4'-P-C4' energy: -173.533
flat angles P-C4'-P energy: -127.222
tors. eta vs tors. theta energy: -257.698
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: 5
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -2681.343307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2681.343307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2684.441419 (E_RNA)
where:
Base-Base interactions energy: -1884.888
where: short stacking energy: -804.413
Base-Backbone interact. energy: -1.858
local terms energy: -797.695389
where:
bonds (distance) C4'-P energy: -127.693
bonds (distance) P-C4' energy: -137.650
flat angles C4'-P-C4' energy: -176.588
flat angles P-C4'-P energy: -114.116
tors. eta vs tors. theta energy: -241.649
Dist. restrs. and SS energy: 3.098 (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: 10
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -2643.494666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2643.494666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2648.501740 (E_RNA)
where:
Base-Base interactions energy: -1855.080
where: short stacking energy: -769.352
Base-Backbone interact. energy: -2.356
local terms energy: -791.065764
where:
bonds (distance) C4'-P energy: -130.251
bonds (distance) P-C4' energy: -142.288
flat angles C4'-P-C4' energy: -173.629
flat angles P-C4'-P energy: -106.264
tors. eta vs tors. theta energy: -238.633
Dist. restrs. and SS energy: 5.007 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -2515.127960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2515.127960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2518.485239 (E_RNA)
where:
Base-Base interactions energy: -1759.711
where: short stacking energy: -755.082
Base-Backbone interact. energy: -3.358
local terms energy: -755.416115
where:
bonds (distance) C4'-P energy: -129.289
bonds (distance) P-C4' energy: -149.278
flat angles C4'-P-C4' energy: -152.550
flat angles P-C4'-P energy: -96.564
tors. eta vs tors. theta energy: -227.735
Dist. restrs. and SS energy: 3.357 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -2440.694108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2440.694108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2445.089859 (E_RNA)
where:
Base-Base interactions energy: -1699.122
where: short stacking energy: -711.547
Base-Backbone interact. energy: -1.739
local terms energy: -744.229287
where:
bonds (distance) C4'-P energy: -129.618
bonds (distance) P-C4' energy: -128.369
flat angles C4'-P-C4' energy: -156.184
flat angles P-C4'-P energy: -110.014
tors. eta vs tors. theta energy: -220.045
Dist. restrs. and SS energy: 4.396 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -2372.417778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2372.417778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2377.783672 (E_RNA)
where:
Base-Base interactions energy: -1671.357
where: short stacking energy: -698.195
Base-Backbone interact. energy: -2.371
local terms energy: -704.055570
where:
bonds (distance) C4'-P energy: -116.563
bonds (distance) P-C4' energy: -123.709
flat angles C4'-P-C4' energy: -155.896
flat angles P-C4'-P energy: -103.531
tors. eta vs tors. theta energy: -204.357
Dist. restrs. and SS energy: 5.366 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -2226.758710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2226.758710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2241.184704 (E_RNA)
where:
Base-Base interactions energy: -1577.021
where: short stacking energy: -668.445
Base-Backbone interact. energy: -1.845
local terms energy: -662.318682
where:
bonds (distance) C4'-P energy: -113.653
bonds (distance) P-C4' energy: -121.221
flat angles C4'-P-C4' energy: -137.976
flat angles P-C4'-P energy: -94.430
tors. eta vs tors. theta energy: -195.039
Dist. restrs. and SS energy: 14.426 (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: 1
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -2172.597501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2172.597501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2181.626896 (E_RNA)
where:
Base-Base interactions energy: -1514.246
where: short stacking energy: -639.532
Base-Backbone interact. energy: 1.700
local terms energy: -669.080919
where:
bonds (distance) C4'-P energy: -124.974
bonds (distance) P-C4' energy: -120.824
flat angles C4'-P-C4' energy: -140.648
flat angles P-C4'-P energy: -90.493
tors. eta vs tors. theta energy: -192.142
Dist. restrs. and SS energy: 9.029 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -2137.974747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2137.974747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2152.153414 (E_RNA)
where:
Base-Base interactions energy: -1521.687
where: short stacking energy: -628.844
Base-Backbone interact. energy: 2.071
local terms energy: -632.538076
where:
bonds (distance) C4'-P energy: -126.949
bonds (distance) P-C4' energy: -121.203
flat angles C4'-P-C4' energy: -123.872
flat angles P-C4'-P energy: -87.405
tors. eta vs tors. theta energy: -173.109
Dist. restrs. and SS energy: 14.179 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -1908.165276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.165276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1945.782404 (E_RNA)
where:
Base-Base interactions energy: -1353.817
where: short stacking energy: -543.023
Base-Backbone interact. energy: 1.808
local terms energy: -593.773807
where:
bonds (distance) C4'-P energy: -100.492
bonds (distance) P-C4' energy: -141.513
flat angles C4'-P-C4' energy: -132.423
flat angles P-C4'-P energy: -75.889
tors. eta vs tors. theta energy: -143.457
Dist. restrs. and SS energy: 37.617 (S_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: 397
Temperature: 0.900000
Total energy: -2801.845033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2801.845033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2803.070425 (E_RNA)
where:
Base-Base interactions energy: -1954.136
where: short stacking energy: -828.749
Base-Backbone interact. energy: -0.883
local terms energy: -848.052049
where:
bonds (distance) C4'-P energy: -137.787
bonds (distance) P-C4' energy: -155.914
flat angles C4'-P-C4' energy: -180.166
flat angles P-C4'-P energy: -119.538
tors. eta vs tors. theta energy: -254.647
Dist. restrs. and SS energy: 1.225 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -2674.848476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2674.848476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2684.168374 (E_RNA)
where:
Base-Base interactions energy: -1884.756
where: short stacking energy: -784.601
Base-Backbone interact. energy: -1.867
local terms energy: -797.545112
where:
bonds (distance) C4'-P energy: -128.017
bonds (distance) P-C4' energy: -145.910
flat angles C4'-P-C4' energy: -169.944
flat angles P-C4'-P energy: -118.174
tors. eta vs tors. theta energy: -235.501
Dist. restrs. and SS energy: 9.320 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -2588.044655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2588.044655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2591.784267 (E_RNA)
where:
Base-Base interactions energy: -1837.583
where: short stacking energy: -760.731
Base-Backbone interact. energy: 1.806
local terms energy: -756.007585
where:
bonds (distance) C4'-P energy: -135.443
bonds (distance) P-C4' energy: -136.619
flat angles C4'-P-C4' energy: -157.521
flat angles P-C4'-P energy: -96.822
tors. eta vs tors. theta energy: -229.602
Dist. restrs. and SS energy: 3.740 (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: 8
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -2511.101464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2511.101464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2515.034934 (E_RNA)
where:
Base-Base interactions energy: -1769.733
where: short stacking energy: -750.962
Base-Backbone interact. energy: -3.083
local terms energy: -742.219234
where:
bonds (distance) C4'-P energy: -130.532
bonds (distance) P-C4' energy: -138.347
flat angles C4'-P-C4' energy: -150.220
flat angles P-C4'-P energy: -101.073
tors. eta vs tors. theta energy: -222.047
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: 5, replica: 3
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -2441.013525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2441.013525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2447.103648 (E_RNA)
where:
Base-Base interactions energy: -1696.691
where: short stacking energy: -744.463
Base-Backbone interact. energy: -0.162
local terms energy: -750.250396
where:
bonds (distance) C4'-P energy: -151.778
bonds (distance) P-C4' energy: -126.328
flat angles C4'-P-C4' energy: -155.011
flat angles P-C4'-P energy: -94.208
tors. eta vs tors. theta energy: -222.925
Dist. restrs. and SS energy: 6.090 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -2387.093803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2387.093803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2393.363275 (E_RNA)
where:
Base-Base interactions energy: -1669.548
where: short stacking energy: -714.120
Base-Backbone interact. energy: 3.558
local terms energy: -727.373083
where:
bonds (distance) C4'-P energy: -106.250
bonds (distance) P-C4' energy: -145.251
flat angles C4'-P-C4' energy: -155.078
flat angles P-C4'-P energy: -102.013
tors. eta vs tors. theta energy: -218.781
Dist. restrs. and SS energy: 6.269 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -2236.452768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2236.452768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2245.517415 (E_RNA)
where:
Base-Base interactions energy: -1585.278
where: short stacking energy: -672.998
Base-Backbone interact. energy: -2.444
local terms energy: -657.796126
where:
bonds (distance) C4'-P energy: -130.340
bonds (distance) P-C4' energy: -113.971
flat angles C4'-P-C4' energy: -145.158
flat angles P-C4'-P energy: -75.736
tors. eta vs tors. theta energy: -192.592
Dist. restrs. and SS energy: 9.065 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -2147.845504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2147.845504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2154.670741 (E_RNA)
where:
Base-Base interactions energy: -1485.619
where: short stacking energy: -610.824
Base-Backbone interact. energy: -4.201
local terms energy: -664.851309
where:
bonds (distance) C4'-P energy: -107.994
bonds (distance) P-C4' energy: -137.258
flat angles C4'-P-C4' energy: -140.766
flat angles P-C4'-P energy: -98.670
tors. eta vs tors. theta energy: -180.163
Dist. restrs. and SS energy: 6.825 (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: 4
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -2079.062724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2079.062724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.910545 (E_RNA)
where:
Base-Base interactions energy: -1447.123
where: short stacking energy: -620.778
Base-Backbone interact. energy: 0.459
local terms energy: -649.246864
where:
bonds (distance) C4'-P energy: -126.987
bonds (distance) P-C4' energy: -117.476
flat angles C4'-P-C4' energy: -130.646
flat angles P-C4'-P energy: -85.842
tors. eta vs tors. theta energy: -188.296
Dist. restrs. and SS energy: 16.848 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -1902.585026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.585026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.022245 (E_RNA)
where:
Base-Base interactions energy: -1367.965
where: short stacking energy: -549.243
Base-Backbone interact. energy: 1.615
local terms energy: -564.672366
where:
bonds (distance) C4'-P energy: -123.882
bonds (distance) P-C4' energy: -106.218
flat angles C4'-P-C4' energy: -127.305
flat angles P-C4'-P energy: -71.428
tors. eta vs tors. theta energy: -135.840
Dist. restrs. and SS energy: 28.437 (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: 2
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -2796.088140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2796.088140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2799.937895 (E_RNA)
where:
Base-Base interactions energy: -1964.650
where: short stacking energy: -839.589
Base-Backbone interact. energy: -2.339
local terms energy: -832.948674
where:
bonds (distance) C4'-P energy: -144.538
bonds (distance) P-C4' energy: -150.599
flat angles C4'-P-C4' energy: -174.659
flat angles P-C4'-P energy: -111.969
tors. eta vs tors. theta energy: -251.184
Dist. restrs. and SS energy: 3.850 (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: 398
Temperature: 0.950000
Total energy: -2685.195207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2685.195207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2692.617834 (E_RNA)
where:
Base-Base interactions energy: -1888.190
where: short stacking energy: -798.589
Base-Backbone interact. energy: -4.151
local terms energy: -800.276763
where:
bonds (distance) C4'-P energy: -138.803
bonds (distance) P-C4' energy: -141.644
flat angles C4'-P-C4' energy: -173.456
flat angles P-C4'-P energy: -115.124
tors. eta vs tors. theta energy: -231.250
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: 3, replica: 5
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -2599.444510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2599.444510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2602.277823 (E_RNA)
where:
Base-Base interactions energy: -1838.745
where: short stacking energy: -808.068
Base-Backbone interact. energy: -0.622
local terms energy: -762.910331
where:
bonds (distance) C4'-P energy: -116.830
bonds (distance) P-C4' energy: -130.872
flat angles C4'-P-C4' energy: -170.154
flat angles P-C4'-P energy: -109.598
tors. eta vs tors. theta energy: -235.456
Dist. restrs. and SS energy: 2.833 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -2513.809974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2513.809974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2516.340273 (E_RNA)
where:
Base-Base interactions energy: -1757.146
where: short stacking energy: -770.294
Base-Backbone interact. energy: -1.838
local terms energy: -757.356313
where:
bonds (distance) C4'-P energy: -127.866
bonds (distance) P-C4' energy: -124.452
flat angles C4'-P-C4' energy: -150.330
flat angles P-C4'-P energy: -120.096
tors. eta vs tors. theta energy: -234.612
Dist. restrs. and SS energy: 2.530 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -2433.296776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2433.296776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2439.541881 (E_RNA)
where:
Base-Base interactions energy: -1715.695
where: short stacking energy: -714.560
Base-Backbone interact. energy: -2.875
local terms energy: -720.971968
where:
bonds (distance) C4'-P energy: -128.979
bonds (distance) P-C4' energy: -117.674
flat angles C4'-P-C4' energy: -146.505
flat angles P-C4'-P energy: -111.056
tors. eta vs tors. theta energy: -216.758
Dist. restrs. and SS energy: 6.245 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -2426.432253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2426.432253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2430.876127 (E_RNA)
where:
Base-Base interactions energy: -1707.486
where: short stacking energy: -710.014
Base-Backbone interact. energy: -3.694
local terms energy: -719.696144
where:
bonds (distance) C4'-P energy: -130.856
bonds (distance) P-C4' energy: -128.794
flat angles C4'-P-C4' energy: -136.970
flat angles P-C4'-P energy: -112.825
tors. eta vs tors. theta energy: -210.251
Dist. restrs. and SS energy: 4.444 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -2234.117308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2234.117308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2240.554365 (E_RNA)
where:
Base-Base interactions energy: -1568.861
where: short stacking energy: -657.574
Base-Backbone interact. energy: -2.374
local terms energy: -669.319588
where:
bonds (distance) C4'-P energy: -117.713
bonds (distance) P-C4' energy: -134.853
flat angles C4'-P-C4' energy: -147.327
flat angles P-C4'-P energy: -86.524
tors. eta vs tors. theta energy: -182.902
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: 8, replica: 1
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -2203.457936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2203.457936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2219.059347 (E_RNA)
where:
Base-Base interactions energy: -1523.881
where: short stacking energy: -645.545
Base-Backbone interact. energy: -0.298
local terms energy: -694.880209
where:
bonds (distance) C4'-P energy: -123.894
bonds (distance) P-C4' energy: -144.810
flat angles C4'-P-C4' energy: -138.435
flat angles P-C4'-P energy: -101.204
tors. eta vs tors. theta energy: -186.538
Dist. restrs. and SS energy: 15.601 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -2105.517444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2105.517444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2115.343529 (E_RNA)
where:
Base-Base interactions energy: -1506.299
where: short stacking energy: -638.969
Base-Backbone interact. energy: 5.771
local terms energy: -614.815277
where:
bonds (distance) C4'-P energy: -91.447
bonds (distance) P-C4' energy: -123.235
flat angles C4'-P-C4' energy: -124.578
flat angles P-C4'-P energy: -88.458
tors. eta vs tors. theta energy: -187.098
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: 10, replica: 6
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -1976.788195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1976.788195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1994.136102 (E_RNA)
where:
Base-Base interactions energy: -1403.735
where: short stacking energy: -583.964
Base-Backbone interact. energy: -0.660
local terms energy: -589.741070
where:
bonds (distance) C4'-P energy: -120.226
bonds (distance) P-C4' energy: -110.638
flat angles C4'-P-C4' energy: -134.261
flat angles P-C4'-P energy: -65.434
tors. eta vs tors. theta energy: -159.182
Dist. restrs. and SS energy: 17.348 (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: 2
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -2810.928299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2810.928299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2814.930234 (E_RNA)
where:
Base-Base interactions energy: -1967.553
where: short stacking energy: -845.474
Base-Backbone interact. energy: -2.568
local terms energy: -844.809673
where:
bonds (distance) C4'-P energy: -151.034
bonds (distance) P-C4' energy: -160.302
flat angles C4'-P-C4' energy: -168.539
flat angles P-C4'-P energy: -110.790
tors. eta vs tors. theta energy: -254.146
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: 10
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -2680.087581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2680.087581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2686.465647 (E_RNA)
where:
Base-Base interactions energy: -1866.376
where: short stacking energy: -796.503
Base-Backbone interact. energy: -4.207
local terms energy: -815.882902
where:
bonds (distance) C4'-P energy: -154.718
bonds (distance) P-C4' energy: -139.488
flat angles C4'-P-C4' energy: -167.410
flat angles P-C4'-P energy: -116.359
tors. eta vs tors. theta energy: -237.907
Dist. restrs. and SS energy: 6.378 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -2592.802680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2592.802680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2596.247513 (E_RNA)
where:
Base-Base interactions energy: -1787.121
where: short stacking energy: -769.133
Base-Backbone interact. energy: -1.504
local terms energy: -807.622600
where:
bonds (distance) C4'-P energy: -130.705
bonds (distance) P-C4' energy: -158.089
flat angles C4'-P-C4' energy: -157.989
flat angles P-C4'-P energy: -128.216
tors. eta vs tors. theta energy: -232.623
Dist. restrs. and SS energy: 3.445 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -2504.339936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2504.339936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2506.792954 (E_RNA)
where:
Base-Base interactions energy: -1749.057
where: short stacking energy: -755.888
Base-Backbone interact. energy: 1.793
local terms energy: -759.528987
where:
bonds (distance) C4'-P energy: -133.794
bonds (distance) P-C4' energy: -131.557
flat angles C4'-P-C4' energy: -162.963
flat angles P-C4'-P energy: -120.596
tors. eta vs tors. theta energy: -210.619
Dist. restrs. and SS energy: 2.453 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -2431.742402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2431.742402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2442.903110 (E_RNA)
where:
Base-Base interactions energy: -1718.668
where: short stacking energy: -746.197
Base-Backbone interact. energy: 1.942
local terms energy: -726.177727
where:
bonds (distance) C4'-P energy: -127.362
bonds (distance) P-C4' energy: -133.949
flat angles C4'-P-C4' energy: -141.553
flat angles P-C4'-P energy: -108.532
tors. eta vs tors. theta energy: -214.783
Dist. restrs. and SS energy: 11.161 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -2415.191501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2415.191501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2420.491066 (E_RNA)
where:
Base-Base interactions energy: -1675.953
where: short stacking energy: -705.311
Base-Backbone interact. energy: -1.550
local terms energy: -742.988197
where:
bonds (distance) C4'-P energy: -147.173
bonds (distance) P-C4' energy: -124.623
flat angles C4'-P-C4' energy: -154.171
flat angles P-C4'-P energy: -104.540
tors. eta vs tors. theta energy: -212.482
Dist. restrs. and SS energy: 5.300 (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: 9
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -2212.874840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2212.874840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2222.678761 (E_RNA)
where:
Base-Base interactions energy: -1583.366
where: short stacking energy: -637.295
Base-Backbone interact. energy: -0.431
local terms energy: -638.881183
where:
bonds (distance) C4'-P energy: -102.727
bonds (distance) P-C4' energy: -122.808
flat angles C4'-P-C4' energy: -150.868
flat angles P-C4'-P energy: -77.699
tors. eta vs tors. theta energy: -184.779
Dist. restrs. and SS energy: 9.804 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -2162.561767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2162.561767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2174.218447 (E_RNA)
where:
Base-Base interactions energy: -1524.326
where: short stacking energy: -647.819
Base-Backbone interact. energy: 1.730
local terms energy: -651.622124
where:
bonds (distance) C4'-P energy: -118.870
bonds (distance) P-C4' energy: -138.639
flat angles C4'-P-C4' energy: -148.669
flat angles P-C4'-P energy: -80.190
tors. eta vs tors. theta energy: -165.254
Dist. restrs. and SS energy: 11.657 (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: 4
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -2089.127333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2089.127333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2105.819626 (E_RNA)
where:
Base-Base interactions energy: -1486.116
where: short stacking energy: -636.432
Base-Backbone interact. energy: 5.264
local terms energy: -624.967978
where:
bonds (distance) C4'-P energy: -97.492
bonds (distance) P-C4' energy: -117.827
flat angles C4'-P-C4' energy: -130.945
flat angles P-C4'-P energy: -90.509
tors. eta vs tors. theta energy: -188.195
Dist. restrs. and SS energy: 16.692 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -1924.075747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.075747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1940.025166 (E_RNA)
where:
Base-Base interactions energy: -1403.070
where: short stacking energy: -573.344
Base-Backbone interact. energy: 5.338
local terms energy: -542.293729
where:
bonds (distance) C4'-P energy: -87.646
bonds (distance) P-C4' energy: -103.938
flat angles C4'-P-C4' energy: -131.758
flat angles P-C4'-P energy: -75.747
tors. eta vs tors. theta energy: -143.205
Dist. restrs. and SS energy: 15.949 (S_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: 400
Temperature: 0.900000
Total energy: -2807.687051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2807.687051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2810.557148 (E_RNA)
where:
Base-Base interactions energy: -1984.306
where: short stacking energy: -832.344
Base-Backbone interact. energy: -2.012
local terms energy: -824.238806
where:
bonds (distance) C4'-P energy: -138.994
bonds (distance) P-C4' energy: -135.517
flat angles C4'-P-C4' energy: -174.780
flat angles P-C4'-P energy: -118.681
tors. eta vs tors. theta energy: -256.267
Dist. restrs. and SS energy: 2.870 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -2649.729883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2649.729883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2655.722681 (E_RNA)
where:
Base-Base interactions energy: -1854.496
where: short stacking energy: -777.306
Base-Backbone interact. energy: -3.063
local terms energy: -798.163478
where:
bonds (distance) C4'-P energy: -134.611
bonds (distance) P-C4' energy: -144.438
flat angles C4'-P-C4' energy: -165.404
flat angles P-C4'-P energy: -116.994
tors. eta vs tors. theta energy: -236.716
Dist. restrs. and SS energy: 5.993 (S_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: 400
Temperature: 1.000000
Total energy: -2601.100454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2601.100454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2606.394053 (E_RNA)
where:
Base-Base interactions energy: -1827.830
where: short stacking energy: -773.470
Base-Backbone interact. energy: -2.613
local terms energy: -775.950892
where:
bonds (distance) C4'-P energy: -126.130
bonds (distance) P-C4' energy: -146.432
flat angles C4'-P-C4' energy: -155.401
flat angles P-C4'-P energy: -113.403
tors. eta vs tors. theta energy: -234.585
Dist. restrs. and SS energy: 5.294 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -2512.837150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2512.837150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2517.183477 (E_RNA)
where:
Base-Base interactions energy: -1773.728
where: short stacking energy: -747.551
Base-Backbone interact. energy: -1.052
local terms energy: -742.403547
where:
bonds (distance) C4'-P energy: -124.841
bonds (distance) P-C4' energy: -134.953
flat angles C4'-P-C4' energy: -163.240
flat angles P-C4'-P energy: -100.079
tors. eta vs tors. theta energy: -219.291
Dist. restrs. and SS energy: 4.346 (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: 7
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -2476.105049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2476.105049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2481.379219 (E_RNA)
where:
Base-Base interactions energy: -1714.354
where: short stacking energy: -725.554
Base-Backbone interact. energy: -2.165
local terms energy: -764.860186
where:
bonds (distance) C4'-P energy: -133.052
bonds (distance) P-C4' energy: -121.781
flat angles C4'-P-C4' energy: -169.683
flat angles P-C4'-P energy: -117.845
tors. eta vs tors. theta energy: -222.499
Dist. restrs. and SS energy: 5.274 (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: 3
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -2333.253096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2333.253096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2340.333792 (E_RNA)
where:
Base-Base interactions energy: -1617.804
where: short stacking energy: -671.019
Base-Backbone interact. energy: -1.853
local terms energy: -720.677084
where:
bonds (distance) C4'-P energy: -116.901
bonds (distance) P-C4' energy: -140.882
flat angles C4'-P-C4' energy: -157.440
flat angles P-C4'-P energy: -103.485
tors. eta vs tors. theta energy: -201.969
Dist. restrs. and SS energy: 7.081 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -2234.996661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2234.996661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2240.867685 (E_RNA)
where:
Base-Base interactions energy: -1575.168
where: short stacking energy: -642.603
Base-Backbone interact. energy: 2.109
local terms energy: -667.808232
where:
bonds (distance) C4'-P energy: -132.313
bonds (distance) P-C4' energy: -127.653
flat angles C4'-P-C4' energy: -145.682
flat angles P-C4'-P energy: -79.901
tors. eta vs tors. theta energy: -182.259
Dist. restrs. and SS energy: 5.871 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -2168.030524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2168.030524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2178.371996 (E_RNA)
where:
Base-Base interactions energy: -1522.720
where: short stacking energy: -637.252
Base-Backbone interact. energy: -4.819
local terms energy: -650.832061
where:
bonds (distance) C4'-P energy: -121.871
bonds (distance) P-C4' energy: -110.496
flat angles C4'-P-C4' energy: -145.147
flat angles P-C4'-P energy: -85.867
tors. eta vs tors. theta energy: -187.451
Dist. restrs. and SS energy: 10.341 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -2009.424505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.424505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2038.262919 (E_RNA)
where:
Base-Base interactions energy: -1437.775
where: short stacking energy: -584.262
Base-Backbone interact. energy: -0.914
local terms energy: -599.574055
where:
bonds (distance) C4'-P energy: -99.327
bonds (distance) P-C4' energy: -115.075
flat angles C4'-P-C4' energy: -135.482
flat angles P-C4'-P energy: -78.833
tors. eta vs tors. theta energy: -170.857
Dist. restrs. and SS energy: 28.838 (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: 400
Temperature: 1.350000
Total energy: -1972.913533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.913533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1988.338468 (E_RNA)
where:
Base-Base interactions energy: -1411.763
where: short stacking energy: -566.001
Base-Backbone interact. energy: -1.493
local terms energy: -575.082450
where:
bonds (distance) C4'-P energy: -114.009
bonds (distance) P-C4' energy: -114.555
flat angles C4'-P-C4' energy: -123.949
flat angles P-C4'-P energy: -64.313
tors. eta vs tors. theta energy: -158.257
Dist. restrs. and SS energy: 15.425 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -2786.990430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2786.990430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2790.468552 (E_RNA)
where:
Base-Base interactions energy: -1957.919
where: short stacking energy: -830.448
Base-Backbone interact. energy: -2.378
local terms energy: -830.172219
where:
bonds (distance) C4'-P energy: -158.807
bonds (distance) P-C4' energy: -146.674
flat angles C4'-P-C4' energy: -166.233
flat angles P-C4'-P energy: -105.156
tors. eta vs tors. theta energy: -253.302
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: 2, replica: 5
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -2690.458185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2690.458185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2696.655730 (E_RNA)
where:
Base-Base interactions energy: -1908.378
where: short stacking energy: -810.464
Base-Backbone interact. energy: -2.998
local terms energy: -785.278932
where:
bonds (distance) C4'-P energy: -125.269
bonds (distance) P-C4' energy: -127.847
flat angles C4'-P-C4' energy: -174.747
flat angles P-C4'-P energy: -122.077
tors. eta vs tors. theta energy: -235.340
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: 3, replica: 10
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -2580.993301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2580.993301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2587.927527 (E_RNA)
where:
Base-Base interactions energy: -1820.387
where: short stacking energy: -758.550
Base-Backbone interact. energy: 2.749
local terms energy: -770.288895
where:
bonds (distance) C4'-P energy: -142.004
bonds (distance) P-C4' energy: -126.862
flat angles C4'-P-C4' energy: -163.918
flat angles P-C4'-P energy: -114.511
tors. eta vs tors. theta energy: -222.994
Dist. restrs. and SS energy: 6.934 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -2538.256333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2538.256333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2541.433582 (E_RNA)
where:
Base-Base interactions energy: -1769.578
where: short stacking energy: -755.206
Base-Backbone interact. energy: -2.406
local terms energy: -769.450225
where:
bonds (distance) C4'-P energy: -134.799
bonds (distance) P-C4' energy: -132.810
flat angles C4'-P-C4' energy: -161.511
flat angles P-C4'-P energy: -113.004
tors. eta vs tors. theta energy: -227.326
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: 5, replica: 7
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -2438.490833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2438.490833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2445.206418 (E_RNA)
where:
Base-Base interactions energy: -1739.820
where: short stacking energy: -746.843
Base-Backbone interact. energy: 4.442
local terms energy: -709.828604
where:
bonds (distance) C4'-P energy: -110.105
bonds (distance) P-C4' energy: -130.951
flat angles C4'-P-C4' energy: -138.572
flat angles P-C4'-P energy: -113.460
tors. eta vs tors. theta energy: -216.741
Dist. restrs. and SS energy: 6.716 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -2284.777744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2284.777744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2292.581064 (E_RNA)
where:
Base-Base interactions energy: -1623.693
where: short stacking energy: -674.996
Base-Backbone interact. energy: -3.200
local terms energy: -665.687971
where:
bonds (distance) C4'-P energy: -111.707
bonds (distance) P-C4' energy: -132.811
flat angles C4'-P-C4' energy: -151.106
flat angles P-C4'-P energy: -80.435
tors. eta vs tors. theta energy: -189.628
Dist. restrs. and SS energy: 7.803 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -2292.107905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2292.107905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2302.228650 (E_RNA)
where:
Base-Base interactions energy: -1615.145
where: short stacking energy: -691.038
Base-Backbone interact. energy: 1.578
local terms energy: -688.662330
where:
bonds (distance) C4'-P energy: -116.683
bonds (distance) P-C4' energy: -128.964
flat angles C4'-P-C4' energy: -149.711
flat angles P-C4'-P energy: -93.037
tors. eta vs tors. theta energy: -200.267
Dist. restrs. and SS energy: 10.121 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -2212.402396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2212.402396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2226.177012 (E_RNA)
where:
Base-Base interactions energy: -1544.827
where: short stacking energy: -626.583
Base-Backbone interact. energy: -2.421
local terms energy: -678.928496
where:
bonds (distance) C4'-P energy: -131.340
bonds (distance) P-C4' energy: -129.751
flat angles C4'-P-C4' energy: -140.139
flat angles P-C4'-P energy: -99.061
tors. eta vs tors. theta energy: -178.637
Dist. restrs. and SS energy: 13.775 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -2059.838725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2059.838725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2084.052523 (E_RNA)
where:
Base-Base interactions energy: -1487.292
where: short stacking energy: -613.694
Base-Backbone interact. energy: -3.314
local terms energy: -593.446708
where:
bonds (distance) C4'-P energy: -102.804
bonds (distance) P-C4' energy: -117.190
flat angles C4'-P-C4' energy: -135.072
flat angles P-C4'-P energy: -69.181
tors. eta vs tors. theta energy: -169.200
Dist. restrs. and SS energy: 24.214 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -1955.296280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.296280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1976.670315 (E_RNA)
where:
Base-Base interactions energy: -1396.721
where: short stacking energy: -583.240
Base-Backbone interact. energy: -0.263
local terms energy: -579.686911
where:
bonds (distance) C4'-P energy: -107.570
bonds (distance) P-C4' energy: -99.818
flat angles C4'-P-C4' energy: -140.832
flat angles P-C4'-P energy: -69.214
tors. eta vs tors. theta energy: -162.253
Dist. restrs. and SS energy: 21.374 (S_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: 402
Temperature: 0.900000
Total energy: -2780.032584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2780.032584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2785.231350 (E_RNA)
where:
Base-Base interactions energy: -1938.042
where: short stacking energy: -829.956
Base-Backbone interact. energy: -3.312
local terms energy: -843.877428
where:
bonds (distance) C4'-P energy: -144.319
bonds (distance) P-C4' energy: -155.331
flat angles C4'-P-C4' energy: -173.540
flat angles P-C4'-P energy: -121.578
tors. eta vs tors. theta energy: -249.109
Dist. restrs. and SS energy: 5.199 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -2684.077938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2684.077938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2689.048545 (E_RNA)
where:
Base-Base interactions energy: -1887.595
where: short stacking energy: -838.035
Base-Backbone interact. energy: -4.870
local terms energy: -796.583449
where:
bonds (distance) C4'-P energy: -139.788
bonds (distance) P-C4' energy: -149.998
flat angles C4'-P-C4' energy: -147.002
flat angles P-C4'-P energy: -116.588
tors. eta vs tors. theta energy: -243.207
Dist. restrs. and SS energy: 4.971 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -2625.502225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2625.502225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2632.580930 (E_RNA)
where:
Base-Base interactions energy: -1845.660
where: short stacking energy: -796.794
Base-Backbone interact. energy: -3.394
local terms energy: -783.527093
where:
bonds (distance) C4'-P energy: -133.606
bonds (distance) P-C4' energy: -134.403
flat angles C4'-P-C4' energy: -174.691
flat angles P-C4'-P energy: -103.147
tors. eta vs tors. theta energy: -237.681
Dist. restrs. and SS energy: 7.079 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -2486.100321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2486.100321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2488.633816 (E_RNA)
where:
Base-Base interactions energy: -1729.137
where: short stacking energy: -737.201
Base-Backbone interact. energy: -4.143
local terms energy: -755.353628
where:
bonds (distance) C4'-P energy: -141.404
bonds (distance) P-C4' energy: -133.019
flat angles C4'-P-C4' energy: -162.495
flat angles P-C4'-P energy: -101.074
tors. eta vs tors. theta energy: -217.362
Dist. restrs. and SS energy: 2.533 (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: 9
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -2363.603042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2363.603042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2369.899433 (E_RNA)
where:
Base-Base interactions energy: -1662.923
where: short stacking energy: -699.620
Base-Backbone interact. energy: -1.574
local terms energy: -705.402121
where:
bonds (distance) C4'-P energy: -133.338
bonds (distance) P-C4' energy: -129.231
flat angles C4'-P-C4' energy: -131.250
flat angles P-C4'-P energy: -108.101
tors. eta vs tors. theta energy: -203.482
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: 6, replica: 7
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -2367.305636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2367.305636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2373.155421 (E_RNA)
where:
Base-Base interactions energy: -1638.643
where: short stacking energy: -701.602
Base-Backbone interact. energy: -4.318
local terms energy: -730.195118
where:
bonds (distance) C4'-P energy: -130.744
bonds (distance) P-C4' energy: -142.078
flat angles C4'-P-C4' energy: -150.704
flat angles P-C4'-P energy: -110.395
tors. eta vs tors. theta energy: -196.274
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: 7, replica: 3
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -2319.952817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2319.952817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2328.214760 (E_RNA)
where:
Base-Base interactions energy: -1641.703
where: short stacking energy: -680.205
Base-Backbone interact. energy: 0.623
local terms energy: -687.134415
where:
bonds (distance) C4'-P energy: -115.830
bonds (distance) P-C4' energy: -133.552
flat angles C4'-P-C4' energy: -141.483
flat angles P-C4'-P energy: -103.795
tors. eta vs tors. theta energy: -192.474
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: 1
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -2189.224801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2189.224801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2195.044879 (E_RNA)
where:
Base-Base interactions energy: -1566.125
where: short stacking energy: -646.474
Base-Backbone interact. energy: 1.208
local terms energy: -630.128523
where:
bonds (distance) C4'-P energy: -104.436
bonds (distance) P-C4' energy: -114.465
flat angles C4'-P-C4' energy: -135.162
flat angles P-C4'-P energy: -96.585
tors. eta vs tors. theta energy: -179.481
Dist. restrs. and SS energy: 5.820 (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: 6
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -2029.204685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2029.204685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2047.268242 (E_RNA)
where:
Base-Base interactions energy: -1421.236
where: short stacking energy: -569.763
Base-Backbone interact. energy: 0.024
local terms energy: -626.056808
where:
bonds (distance) C4'-P energy: -115.520
bonds (distance) P-C4' energy: -106.480
flat angles C4'-P-C4' energy: -143.409
flat angles P-C4'-P energy: -90.936
tors. eta vs tors. theta energy: -169.712
Dist. restrs. and SS energy: 18.064 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -1991.959645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1991.959645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2012.993212 (E_RNA)
where:
Base-Base interactions energy: -1429.382
where: short stacking energy: -584.518
Base-Backbone interact. energy: -4.706
local terms energy: -578.904738
where:
bonds (distance) C4'-P energy: -94.233
bonds (distance) P-C4' energy: -77.291
flat angles C4'-P-C4' energy: -132.307
flat angles P-C4'-P energy: -89.047
tors. eta vs tors. theta energy: -186.026
Dist. restrs. and SS energy: 21.034 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -2773.532692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2773.532692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2778.654417 (E_RNA)
where:
Base-Base interactions energy: -1940.847
where: short stacking energy: -826.186
Base-Backbone interact. energy: 0.319
local terms energy: -838.125721
where:
bonds (distance) C4'-P energy: -147.301
bonds (distance) P-C4' energy: -145.946
flat angles C4'-P-C4' energy: -174.079
flat angles P-C4'-P energy: -118.918
tors. eta vs tors. theta energy: -251.882
Dist. restrs. and SS energy: 5.122 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -2652.757551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2652.757551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2659.849884 (E_RNA)
where:
Base-Base interactions energy: -1878.124
where: short stacking energy: -790.850
Base-Backbone interact. energy: -1.754
local terms energy: -779.972252
where:
bonds (distance) C4'-P energy: -144.502
bonds (distance) P-C4' energy: -139.084
flat angles C4'-P-C4' energy: -159.912
flat angles P-C4'-P energy: -105.915
tors. eta vs tors. theta energy: -230.559
Dist. restrs. and SS energy: 7.092 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -2628.547478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2628.547478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2636.194348 (E_RNA)
where:
Base-Base interactions energy: -1843.145
where: short stacking energy: -803.114
Base-Backbone interact. energy: -4.087
local terms energy: -788.962899
where:
bonds (distance) C4'-P energy: -147.313
bonds (distance) P-C4' energy: -121.137
flat angles C4'-P-C4' energy: -168.129
flat angles P-C4'-P energy: -116.674
tors. eta vs tors. theta energy: -235.710
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: 4, replica: 8
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -2561.598124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2561.598124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2564.740301 (E_RNA)
where:
Base-Base interactions energy: -1799.569
where: short stacking energy: -784.741
Base-Backbone interact. energy: -1.354
local terms energy: -763.817434
where:
bonds (distance) C4'-P energy: -133.436
bonds (distance) P-C4' energy: -122.378
flat angles C4'-P-C4' energy: -158.927
flat angles P-C4'-P energy: -117.772
tors. eta vs tors. theta energy: -231.305
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: 5, replica: 9
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -2346.634544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2346.634544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2356.790400 (E_RNA)
where:
Base-Base interactions energy: -1643.598
where: short stacking energy: -689.882
Base-Backbone interact. energy: -0.113
local terms energy: -713.079035
where:
bonds (distance) C4'-P energy: -128.247
bonds (distance) P-C4' energy: -134.004
flat angles C4'-P-C4' energy: -150.924
flat angles P-C4'-P energy: -100.612
tors. eta vs tors. theta energy: -199.292
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: 6, replica: 7
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -2381.210528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2381.210528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2390.576003 (E_RNA)
where:
Base-Base interactions energy: -1679.818
where: short stacking energy: -697.415
Base-Backbone interact. energy: -2.247
local terms energy: -708.510707
where:
bonds (distance) C4'-P energy: -118.290
bonds (distance) P-C4' energy: -116.945
flat angles C4'-P-C4' energy: -158.735
flat angles P-C4'-P energy: -99.129
tors. eta vs tors. theta energy: -215.412
Dist. restrs. and SS energy: 9.365 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -2304.057524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2304.057524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2310.273323 (E_RNA)
where:
Base-Base interactions energy: -1618.954
where: short stacking energy: -701.073
Base-Backbone interact. energy: -0.565
local terms energy: -690.754498
where:
bonds (distance) C4'-P energy: -129.211
bonds (distance) P-C4' energy: -112.297
flat angles C4'-P-C4' energy: -144.482
flat angles P-C4'-P energy: -98.216
tors. eta vs tors. theta energy: -206.549
Dist. restrs. and SS energy: 6.216 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -2150.944529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2150.944529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2162.847564 (E_RNA)
where:
Base-Base interactions energy: -1541.090
where: short stacking energy: -632.867
Base-Backbone interact. energy: -3.699
local terms energy: -618.058359
where:
bonds (distance) C4'-P energy: -116.038
bonds (distance) P-C4' energy: -115.082
flat angles C4'-P-C4' energy: -142.743
flat angles P-C4'-P energy: -69.263
tors. eta vs tors. theta energy: -174.933
Dist. restrs. and SS energy: 11.903 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -2064.831973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2064.831973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2072.820314 (E_RNA)
where:
Base-Base interactions energy: -1471.370
where: short stacking energy: -596.651
Base-Backbone interact. energy: -0.602
local terms energy: -600.848214
where:
bonds (distance) C4'-P energy: -121.158
bonds (distance) P-C4' energy: -109.169
flat angles C4'-P-C4' energy: -133.469
flat angles P-C4'-P energy: -80.125
tors. eta vs tors. theta energy: -156.927
Dist. restrs. and SS energy: 7.988 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -1961.830563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1961.830563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1989.685402 (E_RNA)
where:
Base-Base interactions energy: -1404.180
where: short stacking energy: -583.344
Base-Backbone interact. energy: -2.228
local terms energy: -583.277817
where:
bonds (distance) C4'-P energy: -113.275
bonds (distance) P-C4' energy: -110.931
flat angles C4'-P-C4' energy: -130.750
flat angles P-C4'-P energy: -54.263
tors. eta vs tors. theta energy: -174.060
Dist. restrs. and SS energy: 27.855 (S_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: 404
Temperature: 0.900000
Total energy: -2778.320413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2778.320413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2781.704499 (E_RNA)
where:
Base-Base interactions energy: -1965.165
where: short stacking energy: -839.451
Base-Backbone interact. energy: -0.942
local terms energy: -815.596709
where:
bonds (distance) C4'-P energy: -136.606
bonds (distance) P-C4' energy: -143.722
flat angles C4'-P-C4' energy: -172.255
flat angles P-C4'-P energy: -110.030
tors. eta vs tors. theta energy: -252.984
Dist. restrs. and SS energy: 3.384 (S_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: 404
Temperature: 0.950000
Total energy: -2674.031434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2674.031434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2679.419932 (E_RNA)
where:
Base-Base interactions energy: -1882.187
where: short stacking energy: -809.462
Base-Backbone interact. energy: -2.027
local terms energy: -795.206329
where:
bonds (distance) C4'-P energy: -139.779
bonds (distance) P-C4' energy: -141.988
flat angles C4'-P-C4' energy: -168.175
flat angles P-C4'-P energy: -111.752
tors. eta vs tors. theta energy: -233.514
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: 3, replica: 8
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -2601.581433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2601.581433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2608.350978 (E_RNA)
where:
Base-Base interactions energy: -1808.391
where: short stacking energy: -789.110
Base-Backbone interact. energy: -1.189
local terms energy: -798.771276
where:
bonds (distance) C4'-P energy: -134.967
bonds (distance) P-C4' energy: -134.272
flat angles C4'-P-C4' energy: -178.233
flat angles P-C4'-P energy: -109.737
tors. eta vs tors. theta energy: -241.563
Dist. restrs. and SS energy: 6.770 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -2557.243838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2557.243838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2563.618940 (E_RNA)
where:
Base-Base interactions energy: -1825.497
where: short stacking energy: -765.389
Base-Backbone interact. energy: -2.078
local terms energy: -736.043539
where:
bonds (distance) C4'-P energy: -131.960
bonds (distance) P-C4' energy: -140.042
flat angles C4'-P-C4' energy: -153.813
flat angles P-C4'-P energy: -89.092
tors. eta vs tors. theta energy: -221.137
Dist. restrs. and SS energy: 6.375 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -2390.234945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2390.234945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2397.292980 (E_RNA)
where:
Base-Base interactions energy: -1688.935
where: short stacking energy: -700.841
Base-Backbone interact. energy: -0.900
local terms energy: -707.457675
where:
bonds (distance) C4'-P energy: -133.956
bonds (distance) P-C4' energy: -117.962
flat angles C4'-P-C4' energy: -160.341
flat angles P-C4'-P energy: -91.090
tors. eta vs tors. theta energy: -204.108
Dist. restrs. and SS energy: 7.058 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -2393.890232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2393.890232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2400.964543 (E_RNA)
where:
Base-Base interactions energy: -1691.915
where: short stacking energy: -723.124
Base-Backbone interact. energy: -2.334
local terms energy: -706.716047
where:
bonds (distance) C4'-P energy: -133.954
bonds (distance) P-C4' energy: -104.058
flat angles C4'-P-C4' energy: -157.271
flat angles P-C4'-P energy: -97.360
tors. eta vs tors. theta energy: -214.073
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: 7, replica: 3
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -2299.098080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2299.098080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2306.591039 (E_RNA)
where:
Base-Base interactions energy: -1625.472
where: short stacking energy: -655.685
Base-Backbone interact. energy: -1.003
local terms energy: -680.116236
where:
bonds (distance) C4'-P energy: -122.093
bonds (distance) P-C4' energy: -122.372
flat angles C4'-P-C4' energy: -156.692
flat angles P-C4'-P energy: -93.855
tors. eta vs tors. theta energy: -185.105
Dist. restrs. and SS energy: 7.493 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -2167.851530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2167.851530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2173.034297 (E_RNA)
where:
Base-Base interactions energy: -1549.194
where: short stacking energy: -621.217
Base-Backbone interact. energy: -5.158
local terms energy: -618.683083
where:
bonds (distance) C4'-P energy: -122.387
bonds (distance) P-C4' energy: -112.556
flat angles C4'-P-C4' energy: -132.852
flat angles P-C4'-P energy: -70.891
tors. eta vs tors. theta energy: -179.997
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: 9, replica: 6
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -2031.544594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2031.544594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2052.856252 (E_RNA)
where:
Base-Base interactions energy: -1461.523
where: short stacking energy: -596.186
Base-Backbone interact. energy: -2.932
local terms energy: -588.401404
where:
bonds (distance) C4'-P energy: -97.897
bonds (distance) P-C4' energy: -118.708
flat angles C4'-P-C4' energy: -134.711
flat angles P-C4'-P energy: -65.162
tors. eta vs tors. theta energy: -171.923
Dist. restrs. and SS energy: 21.312 (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: 4
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -2006.526802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2006.526802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2018.257414 (E_RNA)
where:
Base-Base interactions energy: -1411.534
where: short stacking energy: -580.149
Base-Backbone interact. energy: -3.018
local terms energy: -603.705010
where:
bonds (distance) C4'-P energy: -114.614
bonds (distance) P-C4' energy: -129.993
flat angles C4'-P-C4' energy: -116.624
flat angles P-C4'-P energy: -84.798
tors. eta vs tors. theta energy: -157.677
Dist. restrs. and SS energy: 11.731 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -2767.505691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2767.505691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2772.324642 (E_RNA)
where:
Base-Base interactions energy: -1953.309
where: short stacking energy: -825.911
Base-Backbone interact. energy: -2.659
local terms energy: -816.356466
where:
bonds (distance) C4'-P energy: -138.628
bonds (distance) P-C4' energy: -143.181
flat angles C4'-P-C4' energy: -176.739
flat angles P-C4'-P energy: -108.026
tors. eta vs tors. theta energy: -249.782
Dist. restrs. and SS energy: 4.819 (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: 5
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -2673.443372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2673.443372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2675.440091 (E_RNA)
where:
Base-Base interactions energy: -1873.407
where: short stacking energy: -795.404
Base-Backbone interact. energy: -4.683
local terms energy: -797.350040
where:
bonds (distance) C4'-P energy: -138.579
bonds (distance) P-C4' energy: -138.391
flat angles C4'-P-C4' energy: -165.005
flat angles P-C4'-P energy: -116.758
tors. eta vs tors. theta energy: -238.617
Dist. restrs. and SS energy: 1.997 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -2616.361779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2616.361779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2618.676405 (E_RNA)
where:
Base-Base interactions energy: -1826.297
where: short stacking energy: -767.564
Base-Backbone interact. energy: -1.698
local terms energy: -790.681662
where:
bonds (distance) C4'-P energy: -138.683
bonds (distance) P-C4' energy: -146.011
flat angles C4'-P-C4' energy: -165.206
flat angles P-C4'-P energy: -120.140
tors. eta vs tors. theta energy: -220.641
Dist. restrs. and SS energy: 2.315 (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: 405
Temperature: 1.050000
Total energy: -2528.919180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2528.919180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2535.648566 (E_RNA)
where:
Base-Base interactions energy: -1798.786
where: short stacking energy: -756.392
Base-Backbone interact. energy: -3.063
local terms energy: -733.799043
where:
bonds (distance) C4'-P energy: -126.429
bonds (distance) P-C4' energy: -116.247
flat angles C4'-P-C4' energy: -151.691
flat angles P-C4'-P energy: -111.578
tors. eta vs tors. theta energy: -227.853
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: 9
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -2400.860205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2400.860205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2407.144876 (E_RNA)
where:
Base-Base interactions energy: -1701.442
where: short stacking energy: -681.776
Base-Backbone interact. energy: -4.826
local terms energy: -700.876798
where:
bonds (distance) C4'-P energy: -114.223
bonds (distance) P-C4' energy: -135.256
flat angles C4'-P-C4' energy: -147.102
flat angles P-C4'-P energy: -104.793
tors. eta vs tors. theta energy: -199.503
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: 7
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -2391.130193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2391.130193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2398.577000 (E_RNA)
where:
Base-Base interactions energy: -1704.479
where: short stacking energy: -716.567
Base-Backbone interact. energy: -1.622
local terms energy: -692.476109
where:
bonds (distance) C4'-P energy: -117.120
bonds (distance) P-C4' energy: -121.429
flat angles C4'-P-C4' energy: -153.461
flat angles P-C4'-P energy: -96.255
tors. eta vs tors. theta energy: -204.210
Dist. restrs. and SS energy: 7.447 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -2315.370041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2315.370041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2322.961654 (E_RNA)
where:
Base-Base interactions energy: -1629.582
where: short stacking energy: -680.515
Base-Backbone interact. energy: -0.284
local terms energy: -693.096332
where:
bonds (distance) C4'-P energy: -98.637
bonds (distance) P-C4' energy: -128.932
flat angles C4'-P-C4' energy: -155.814
flat angles P-C4'-P energy: -102.448
tors. eta vs tors. theta energy: -207.266
Dist. restrs. and SS energy: 7.592 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -2167.903967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2167.903967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2175.080391 (E_RNA)
where:
Base-Base interactions energy: -1554.303
where: short stacking energy: -631.940
Base-Backbone interact. energy: 1.381
local terms energy: -622.158695
where:
bonds (distance) C4'-P energy: -99.644
bonds (distance) P-C4' energy: -118.256
flat angles C4'-P-C4' energy: -137.925
flat angles P-C4'-P energy: -90.332
tors. eta vs tors. theta energy: -176.002
Dist. restrs. and SS energy: 7.176 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -2081.781815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2081.781815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2099.338387 (E_RNA)
where:
Base-Base interactions energy: -1514.290
where: short stacking energy: -640.145
Base-Backbone interact. energy: -2.190
local terms energy: -582.857850
where:
bonds (distance) C4'-P energy: -93.685
bonds (distance) P-C4' energy: -112.435
flat angles C4'-P-C4' energy: -125.422
flat angles P-C4'-P energy: -80.397
tors. eta vs tors. theta energy: -170.918
Dist. restrs. and SS energy: 17.557 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -2017.680680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2017.680680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2034.929970 (E_RNA)
where:
Base-Base interactions energy: -1438.335
where: short stacking energy: -603.099
Base-Backbone interact. energy: -0.362
local terms energy: -596.233460
where:
bonds (distance) C4'-P energy: -80.964
bonds (distance) P-C4' energy: -111.448
flat angles C4'-P-C4' energy: -154.002
flat angles P-C4'-P energy: -80.304
tors. eta vs tors. theta energy: -169.516
Dist. restrs. and SS energy: 17.249 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -2799.022601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2799.022601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2803.137912 (E_RNA)
where:
Base-Base interactions energy: -1957.770
where: short stacking energy: -814.504
Base-Backbone interact. energy: -2.585
local terms energy: -842.783808
where:
bonds (distance) C4'-P energy: -148.575
bonds (distance) P-C4' energy: -147.999
flat angles C4'-P-C4' energy: -176.735
flat angles P-C4'-P energy: -121.387
tors. eta vs tors. theta energy: -248.087
Dist. restrs. and SS energy: 4.115 (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: 5
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -2663.077394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2663.077394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2668.220055 (E_RNA)
where:
Base-Base interactions energy: -1851.152
where: short stacking energy: -779.909
Base-Backbone interact. energy: -3.440
local terms energy: -813.628163
where:
bonds (distance) C4'-P energy: -139.158
bonds (distance) P-C4' energy: -141.195
flat angles C4'-P-C4' energy: -171.241
flat angles P-C4'-P energy: -126.820
tors. eta vs tors. theta energy: -235.214
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: 3, replica: 8
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -2575.277149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2575.277149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2579.743444 (E_RNA)
where:
Base-Base interactions energy: -1806.325
where: short stacking energy: -757.893
Base-Backbone interact. energy: -2.608
local terms energy: -770.810657
where:
bonds (distance) C4'-P energy: -128.619
bonds (distance) P-C4' energy: -145.031
flat angles C4'-P-C4' energy: -169.574
flat angles P-C4'-P energy: -110.338
tors. eta vs tors. theta energy: -217.249
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: 4, replica: 10
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -2566.607387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2566.607387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2571.146288 (E_RNA)
where:
Base-Base interactions energy: -1812.392
where: short stacking energy: -764.639
Base-Backbone interact. energy: -1.319
local terms energy: -757.435048
where:
bonds (distance) C4'-P energy: -134.162
bonds (distance) P-C4' energy: -129.561
flat angles C4'-P-C4' energy: -157.805
flat angles P-C4'-P energy: -103.419
tors. eta vs tors. theta energy: -232.488
Dist. restrs. and SS energy: 4.539 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -2387.704709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2387.704709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2395.072460 (E_RNA)
where:
Base-Base interactions energy: -1679.409
where: short stacking energy: -723.750
Base-Backbone interact. energy: -4.427
local terms energy: -711.236583
where:
bonds (distance) C4'-P energy: -142.949
bonds (distance) P-C4' energy: -136.456
flat angles C4'-P-C4' energy: -145.270
flat angles P-C4'-P energy: -87.103
tors. eta vs tors. theta energy: -199.459
Dist. restrs. and SS energy: 7.368 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -2342.220405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2342.220405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2347.807360 (E_RNA)
where:
Base-Base interactions energy: -1658.698
where: short stacking energy: -692.010
Base-Backbone interact. energy: -1.920
local terms energy: -687.189453
where:
bonds (distance) C4'-P energy: -118.581
bonds (distance) P-C4' energy: -111.438
flat angles C4'-P-C4' energy: -149.158
flat angles P-C4'-P energy: -98.926
tors. eta vs tors. theta energy: -209.087
Dist. restrs. and SS energy: 5.587 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -2303.039528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2303.039528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2311.179856 (E_RNA)
where:
Base-Base interactions energy: -1610.850
where: short stacking energy: -667.031
Base-Backbone interact. energy: -0.049
local terms energy: -700.280756
where:
bonds (distance) C4'-P energy: -122.448
bonds (distance) P-C4' energy: -132.074
flat angles C4'-P-C4' energy: -147.909
flat angles P-C4'-P energy: -90.748
tors. eta vs tors. theta energy: -207.101
Dist. restrs. and SS energy: 8.140 (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: 1
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -2194.521489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2194.521489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2205.212488 (E_RNA)
where:
Base-Base interactions energy: -1558.310
where: short stacking energy: -614.362
Base-Backbone interact. energy: -0.729
local terms energy: -646.173610
where:
bonds (distance) C4'-P energy: -108.719
bonds (distance) P-C4' energy: -120.594
flat angles C4'-P-C4' energy: -159.699
flat angles P-C4'-P energy: -83.420
tors. eta vs tors. theta energy: -173.742
Dist. restrs. and SS energy: 10.691 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -2097.830977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2097.830977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2109.981179 (E_RNA)
where:
Base-Base interactions energy: -1492.591
where: short stacking energy: -602.151
Base-Backbone interact. energy: -1.563
local terms energy: -615.827270
where:
bonds (distance) C4'-P energy: -121.923
bonds (distance) P-C4' energy: -110.201
flat angles C4'-P-C4' energy: -140.655
flat angles P-C4'-P energy: -74.849
tors. eta vs tors. theta energy: -168.200
Dist. restrs. and SS energy: 12.150 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -2030.355380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2030.355380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2059.265879 (E_RNA)
where:
Base-Base interactions energy: -1387.561
where: short stacking energy: -596.375
Base-Backbone interact. energy: -4.876
local terms energy: -666.828747
where:
bonds (distance) C4'-P energy: -120.222
bonds (distance) P-C4' energy: -115.137
flat angles C4'-P-C4' energy: -150.498
flat angles P-C4'-P energy: -95.453
tors. eta vs tors. theta energy: -185.519
Dist. restrs. and SS energy: 28.910 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -2802.229074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2802.229074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2804.945927 (E_RNA)
where:
Base-Base interactions energy: -1973.568
where: short stacking energy: -817.307
Base-Backbone interact. energy: -3.139
local terms energy: -828.238820
where:
bonds (distance) C4'-P energy: -150.305
bonds (distance) P-C4' energy: -146.547
flat angles C4'-P-C4' energy: -170.157
flat angles P-C4'-P energy: -114.891
tors. eta vs tors. theta energy: -246.338
Dist. restrs. and SS energy: 2.717 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -2667.150208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2667.150208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2671.844533 (E_RNA)
where:
Base-Base interactions energy: -1857.467
where: short stacking energy: -805.305
Base-Backbone interact. energy: -0.380
local terms energy: -813.997364
where:
bonds (distance) C4'-P energy: -142.116
bonds (distance) P-C4' energy: -150.559
flat angles C4'-P-C4' energy: -169.349
flat angles P-C4'-P energy: -115.965
tors. eta vs tors. theta energy: -236.009
Dist. restrs. and SS energy: 4.694 (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: 8
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -2594.166249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2594.166249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2597.064469 (E_RNA)
where:
Base-Base interactions energy: -1799.581
where: short stacking energy: -757.341
Base-Backbone interact. energy: -0.786
local terms energy: -796.697407
where:
bonds (distance) C4'-P energy: -135.050
bonds (distance) P-C4' energy: -141.005
flat angles C4'-P-C4' energy: -170.720
flat angles P-C4'-P energy: -124.205
tors. eta vs tors. theta energy: -225.716
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: 4, replica: 10
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -2574.138841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2574.138841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2579.990408 (E_RNA)
where:
Base-Base interactions energy: -1787.391
where: short stacking energy: -775.071
Base-Backbone interact. energy: -3.628
local terms energy: -788.971669
where:
bonds (distance) C4'-P energy: -141.531
bonds (distance) P-C4' energy: -137.225
flat angles C4'-P-C4' energy: -170.118
flat angles P-C4'-P energy: -104.417
tors. eta vs tors. theta energy: -235.681
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: 5, replica: 9
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -2399.065456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2399.065456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2406.837957 (E_RNA)
where:
Base-Base interactions energy: -1668.124
where: short stacking energy: -689.513
Base-Backbone interact. energy: -4.943
local terms energy: -733.771475
where:
bonds (distance) C4'-P energy: -129.002
bonds (distance) P-C4' energy: -137.611
flat angles C4'-P-C4' energy: -153.248
flat angles P-C4'-P energy: -116.556
tors. eta vs tors. theta energy: -197.355
Dist. restrs. and SS energy: 7.773 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -2381.934033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2381.934033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2390.479192 (E_RNA)
where:
Base-Base interactions energy: -1658.759
where: short stacking energy: -719.405
Base-Backbone interact. energy: 0.357
local terms energy: -732.076764
where:
bonds (distance) C4'-P energy: -135.229
bonds (distance) P-C4' energy: -125.843
flat angles C4'-P-C4' energy: -160.593
flat angles P-C4'-P energy: -98.946
tors. eta vs tors. theta energy: -211.466
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: 7, replica: 7
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -2312.012502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2312.012502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2323.366458 (E_RNA)
where:
Base-Base interactions energy: -1624.077
where: short stacking energy: -679.806
Base-Backbone interact. energy: -0.413
local terms energy: -698.876666
where:
bonds (distance) C4'-P energy: -127.252
bonds (distance) P-C4' energy: -128.557
flat angles C4'-P-C4' energy: -153.782
flat angles P-C4'-P energy: -84.402
tors. eta vs tors. theta energy: -204.883
Dist. restrs. and SS energy: 11.354 (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: 1
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -2221.730019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2221.730019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2231.838766 (E_RNA)
where:
Base-Base interactions energy: -1577.927
where: short stacking energy: -643.380
Base-Backbone interact. energy: -4.599
local terms energy: -649.313154
where:
bonds (distance) C4'-P energy: -103.180
bonds (distance) P-C4' energy: -119.101
flat angles C4'-P-C4' energy: -151.347
flat angles P-C4'-P energy: -98.424
tors. eta vs tors. theta energy: -177.261
Dist. restrs. and SS energy: 10.109 (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: 6
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -2067.703564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2067.703564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2083.207327 (E_RNA)
where:
Base-Base interactions energy: -1479.896
where: short stacking energy: -624.746
Base-Backbone interact. energy: -0.933
local terms energy: -602.378244
where:
bonds (distance) C4'-P energy: -118.005
bonds (distance) P-C4' energy: -107.109
flat angles C4'-P-C4' energy: -131.996
flat angles P-C4'-P energy: -62.787
tors. eta vs tors. theta energy: -182.481
Dist. restrs. and SS energy: 15.504 (S_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: 407
Temperature: 1.350000
Total energy: -1947.738533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1947.738533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1970.192483 (E_RNA)
where:
Base-Base interactions energy: -1418.388
where: short stacking energy: -569.931
Base-Backbone interact. energy: 2.007
local terms energy: -553.811062
where:
bonds (distance) C4'-P energy: -95.417
bonds (distance) P-C4' energy: -87.587
flat angles C4'-P-C4' energy: -118.430
flat angles P-C4'-P energy: -91.295
tors. eta vs tors. theta energy: -161.082
Dist. restrs. and SS energy: 22.454 (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: 2
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -2788.079208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2788.079208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2792.090847 (E_RNA)
where:
Base-Base interactions energy: -1943.589
where: short stacking energy: -812.023
Base-Backbone interact. energy: -3.321
local terms energy: -845.180226
where:
bonds (distance) C4'-P energy: -147.827
bonds (distance) P-C4' energy: -148.150
flat angles C4'-P-C4' energy: -172.043
flat angles P-C4'-P energy: -121.983
tors. eta vs tors. theta energy: -255.177
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: 5
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -2651.835234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2651.835234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2655.283316 (E_RNA)
where:
Base-Base interactions energy: -1878.221
where: short stacking energy: -799.704
Base-Backbone interact. energy: 0.601
local terms energy: -777.663034
where:
bonds (distance) C4'-P energy: -130.355
bonds (distance) P-C4' energy: -145.026
flat angles C4'-P-C4' energy: -163.871
flat angles P-C4'-P energy: -102.468
tors. eta vs tors. theta energy: -235.944
Dist. restrs. and SS energy: 3.448 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -2624.593472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2624.593472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2629.986438 (E_RNA)
where:
Base-Base interactions energy: -1857.004
where: short stacking energy: -797.603
Base-Backbone interact. energy: -2.227
local terms energy: -770.755199
where:
bonds (distance) C4'-P energy: -124.877
bonds (distance) P-C4' energy: -145.643
flat angles C4'-P-C4' energy: -166.073
flat angles P-C4'-P energy: -93.841
tors. eta vs tors. theta energy: -240.321
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: 4, replica: 8
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -2524.697327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2524.697327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2529.568673 (E_RNA)
where:
Base-Base interactions energy: -1781.621
where: short stacking energy: -771.394
Base-Backbone interact. energy: -2.197
local terms energy: -745.751471
where:
bonds (distance) C4'-P energy: -115.064
bonds (distance) P-C4' energy: -136.664
flat angles C4'-P-C4' energy: -171.038
flat angles P-C4'-P energy: -98.282
tors. eta vs tors. theta energy: -224.704
Dist. restrs. and SS energy: 4.871 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -2340.918051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2340.918051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2347.829869 (E_RNA)
where:
Base-Base interactions energy: -1641.951
where: short stacking energy: -691.766
Base-Backbone interact. energy: -2.665
local terms energy: -703.213231
where:
bonds (distance) C4'-P energy: -126.926
bonds (distance) P-C4' energy: -124.387
flat angles C4'-P-C4' energy: -157.904
flat angles P-C4'-P energy: -109.838
tors. eta vs tors. theta energy: -184.157
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: 6, replica: 3
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -2396.507760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2396.507760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2404.087867 (E_RNA)
where:
Base-Base interactions energy: -1678.984
where: short stacking energy: -715.480
Base-Backbone interact. energy: 2.458
local terms energy: -727.562288
where:
bonds (distance) C4'-P energy: -130.898
bonds (distance) P-C4' energy: -128.219
flat angles C4'-P-C4' energy: -149.393
flat angles P-C4'-P energy: -95.610
tors. eta vs tors. theta energy: -223.442
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: 7
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -2328.398978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2328.398978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2334.314954 (E_RNA)
where:
Base-Base interactions energy: -1631.626
where: short stacking energy: -678.514
Base-Backbone interact. energy: -2.485
local terms energy: -700.204160
where:
bonds (distance) C4'-P energy: -130.011
bonds (distance) P-C4' energy: -116.630
flat angles C4'-P-C4' energy: -148.498
flat angles P-C4'-P energy: -91.710
tors. eta vs tors. theta energy: -213.354
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: 8, replica: 1
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -2171.371130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2171.371130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2180.393949 (E_RNA)
where:
Base-Base interactions energy: -1557.196
where: short stacking energy: -630.703
Base-Backbone interact. energy: -2.332
local terms energy: -620.866542
where:
bonds (distance) C4'-P energy: -99.715
bonds (distance) P-C4' energy: -114.284
flat angles C4'-P-C4' energy: -133.219
flat angles P-C4'-P energy: -96.941
tors. eta vs tors. theta energy: -176.708
Dist. restrs. and SS energy: 9.023 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -2040.462104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2040.462104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2052.911052 (E_RNA)
where:
Base-Base interactions energy: -1411.396
where: short stacking energy: -566.536
Base-Backbone interact. energy: -1.586
local terms energy: -639.929739
where:
bonds (distance) C4'-P energy: -102.899
bonds (distance) P-C4' energy: -118.668
flat angles C4'-P-C4' energy: -151.191
flat angles P-C4'-P energy: -99.307
tors. eta vs tors. theta energy: -167.864
Dist. restrs. and SS energy: 12.449 (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: 4
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -1995.117709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1995.117709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2016.670770 (E_RNA)
where:
Base-Base interactions energy: -1384.690
where: short stacking energy: -589.445
Base-Backbone interact. energy: -0.919
local terms energy: -631.061206
where:
bonds (distance) C4'-P energy: -110.781
bonds (distance) P-C4' energy: -119.357
flat angles C4'-P-C4' energy: -145.526
flat angles P-C4'-P energy: -93.899
tors. eta vs tors. theta energy: -161.498
Dist. restrs. and SS energy: 21.553 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -2781.038488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2781.038488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2784.551617 (E_RNA)
where:
Base-Base interactions energy: -1953.966
where: short stacking energy: -845.955
Base-Backbone interact. energy: -3.772
local terms energy: -826.814185
where:
bonds (distance) C4'-P energy: -148.561
bonds (distance) P-C4' energy: -131.806
flat angles C4'-P-C4' energy: -167.933
flat angles P-C4'-P energy: -130.050
tors. eta vs tors. theta energy: -248.464
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: 2, replica: 5
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -2657.631683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2657.631683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2661.433210 (E_RNA)
where:
Base-Base interactions energy: -1875.116
where: short stacking energy: -789.811
Base-Backbone interact. energy: -4.435
local terms energy: -781.881983
where:
bonds (distance) C4'-P energy: -120.869
bonds (distance) P-C4' energy: -152.613
flat angles C4'-P-C4' energy: -157.740
flat angles P-C4'-P energy: -116.776
tors. eta vs tors. theta energy: -233.883
Dist. restrs. and SS energy: 3.802 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -2551.195443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2551.195443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2558.988733 (E_RNA)
where:
Base-Base interactions energy: -1798.415
where: short stacking energy: -783.338
Base-Backbone interact. energy: -3.153
local terms energy: -757.420554
where:
bonds (distance) C4'-P energy: -130.756
bonds (distance) P-C4' energy: -135.492
flat angles C4'-P-C4' energy: -163.026
flat angles P-C4'-P energy: -103.621
tors. eta vs tors. theta energy: -224.526
Dist. restrs. and SS energy: 7.793 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -2535.595485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2535.595485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2540.587258 (E_RNA)
where:
Base-Base interactions energy: -1765.415
where: short stacking energy: -764.478
Base-Backbone interact. energy: -1.904
local terms energy: -773.268822
where:
bonds (distance) C4'-P energy: -135.554
bonds (distance) P-C4' energy: -142.155
flat angles C4'-P-C4' energy: -167.656
flat angles P-C4'-P energy: -101.361
tors. eta vs tors. theta energy: -226.543
Dist. restrs. and SS energy: 4.992 (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: 409
Temperature: 1.100000
Total energy: -2386.259518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2386.259518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2393.719629 (E_RNA)
where:
Base-Base interactions energy: -1676.074
where: short stacking energy: -693.425
Base-Backbone interact. energy: -3.044
local terms energy: -714.600713
where:
bonds (distance) C4'-P energy: -127.993
bonds (distance) P-C4' energy: -114.759
flat angles C4'-P-C4' energy: -150.852
flat angles P-C4'-P energy: -110.646
tors. eta vs tors. theta energy: -210.351
Dist. restrs. and SS energy: 7.460 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -2357.416006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2357.416006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2367.026638 (E_RNA)
where:
Base-Base interactions energy: -1678.531
where: short stacking energy: -717.878
Base-Backbone interact. energy: 0.430
local terms energy: -688.925625
where:
bonds (distance) C4'-P energy: -117.112
bonds (distance) P-C4' energy: -112.950
flat angles C4'-P-C4' energy: -139.648
flat angles P-C4'-P energy: -105.103
tors. eta vs tors. theta energy: -214.111
Dist. restrs. and SS energy: 9.611 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -2277.233861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2277.233861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2284.356715 (E_RNA)
where:
Base-Base interactions energy: -1605.241
where: short stacking energy: -658.780
Base-Backbone interact. energy: 5.222
local terms energy: -684.337301
where:
bonds (distance) C4'-P energy: -126.752
bonds (distance) P-C4' energy: -129.779
flat angles C4'-P-C4' energy: -141.606
flat angles P-C4'-P energy: -91.348
tors. eta vs tors. theta energy: -194.852
Dist. restrs. and SS energy: 7.123 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -2244.032094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2244.032094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2249.786345 (E_RNA)
where:
Base-Base interactions energy: -1606.081
where: short stacking energy: -678.849
Base-Backbone interact. energy: -4.567
local terms energy: -639.138688
where:
bonds (distance) C4'-P energy: -105.896
bonds (distance) P-C4' energy: -106.235
flat angles C4'-P-C4' energy: -150.592
flat angles P-C4'-P energy: -85.920
tors. eta vs tors. theta energy: -190.496
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: 9, replica: 6
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -2023.234245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2023.234245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2041.516394 (E_RNA)
where:
Base-Base interactions energy: -1445.151
where: short stacking energy: -601.888
Base-Backbone interact. energy: -0.149
local terms energy: -596.216016
where:
bonds (distance) C4'-P energy: -103.588
bonds (distance) P-C4' energy: -114.213
flat angles C4'-P-C4' energy: -135.983
flat angles P-C4'-P energy: -82.516
tors. eta vs tors. theta energy: -159.916
Dist. restrs. and SS energy: 18.282 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -1939.783253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.783253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.509448 (E_RNA)
where:
Base-Base interactions energy: -1379.679
where: short stacking energy: -584.829
Base-Backbone interact. energy: -3.392
local terms energy: -576.439126
where:
bonds (distance) C4'-P energy: -90.404
bonds (distance) P-C4' energy: -126.323
flat angles C4'-P-C4' energy: -123.025
flat angles P-C4'-P energy: -81.766
tors. eta vs tors. theta energy: -154.922
Dist. restrs. and SS energy: 19.726 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -2812.672840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2812.672840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2814.771702 (E_RNA)
where:
Base-Base interactions energy: -1973.664
where: short stacking energy: -854.919
Base-Backbone interact. energy: -3.974
local terms energy: -837.133782
where:
bonds (distance) C4'-P energy: -139.949
bonds (distance) P-C4' energy: -161.216
flat angles C4'-P-C4' energy: -166.751
flat angles P-C4'-P energy: -117.631
tors. eta vs tors. theta energy: -251.586
Dist. restrs. and SS energy: 2.099 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -2666.010954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2666.010954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2669.513163 (E_RNA)
where:
Base-Base interactions energy: -1860.544
where: short stacking energy: -801.794
Base-Backbone interact. energy: -3.231
local terms energy: -805.738619
where:
bonds (distance) C4'-P energy: -146.338
bonds (distance) P-C4' energy: -147.665
flat angles C4'-P-C4' energy: -162.835
flat angles P-C4'-P energy: -113.965
tors. eta vs tors. theta energy: -234.936
Dist. restrs. and SS energy: 3.502 (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: 10
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -2565.532574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2565.532574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2569.534781 (E_RNA)
where:
Base-Base interactions energy: -1787.747
where: short stacking energy: -758.410
Base-Backbone interact. energy: -1.340
local terms energy: -780.447922
where:
bonds (distance) C4'-P energy: -136.103
bonds (distance) P-C4' energy: -133.007
flat angles C4'-P-C4' energy: -169.605
flat angles P-C4'-P energy: -104.998
tors. eta vs tors. theta energy: -236.735
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: 4, replica: 8
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -2564.116484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2564.116484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2567.710725 (E_RNA)
where:
Base-Base interactions energy: -1791.343
where: short stacking energy: -750.618
Base-Backbone interact. energy: -4.925
local terms energy: -771.442200
where:
bonds (distance) C4'-P energy: -137.504
bonds (distance) P-C4' energy: -134.090
flat angles C4'-P-C4' energy: -160.774
flat angles P-C4'-P energy: -106.196
tors. eta vs tors. theta energy: -232.878
Dist. restrs. and SS energy: 3.594 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -2435.439612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2435.439612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2441.123962 (E_RNA)
where:
Base-Base interactions energy: -1691.796
where: short stacking energy: -751.777
Base-Backbone interact. energy: 1.382
local terms energy: -750.709377
where:
bonds (distance) C4'-P energy: -144.122
bonds (distance) P-C4' energy: -131.609
flat angles C4'-P-C4' energy: -154.578
flat angles P-C4'-P energy: -100.003
tors. eta vs tors. theta energy: -220.397
Dist. restrs. and SS energy: 5.684 (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: 410
Temperature: 1.150000
Total energy: -2338.831219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2338.831219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2345.703919 (E_RNA)
where:
Base-Base interactions energy: -1666.490
where: short stacking energy: -690.517
Base-Backbone interact. energy: 0.963
local terms energy: -680.176841
where:
bonds (distance) C4'-P energy: -121.472
bonds (distance) P-C4' energy: -119.004
flat angles C4'-P-C4' energy: -146.650
flat angles P-C4'-P energy: -91.683
tors. eta vs tors. theta energy: -201.367
Dist. restrs. and SS energy: 6.873 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -2295.343389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2295.343389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2302.821788 (E_RNA)
where:
Base-Base interactions energy: -1627.292
where: short stacking energy: -658.489
Base-Backbone interact. energy: 2.925
local terms energy: -678.455156
where:
bonds (distance) C4'-P energy: -132.911
bonds (distance) P-C4' energy: -129.362
flat angles C4'-P-C4' energy: -136.987
flat angles P-C4'-P energy: -80.793
tors. eta vs tors. theta energy: -198.403
Dist. restrs. and SS energy: 7.478 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -2216.631542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2216.631542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2224.318043 (E_RNA)
where:
Base-Base interactions energy: -1555.253
where: short stacking energy: -635.668
Base-Backbone interact. energy: -1.943
local terms energy: -667.122185
where:
bonds (distance) C4'-P energy: -115.400
bonds (distance) P-C4' energy: -120.079
flat angles C4'-P-C4' energy: -144.053
flat angles P-C4'-P energy: -103.801
tors. eta vs tors. theta energy: -183.788
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: 9, replica: 6
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -2058.392000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2058.392000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2074.836816 (E_RNA)
where:
Base-Base interactions energy: -1481.225
where: short stacking energy: -624.383
Base-Backbone interact. energy: 1.323
local terms energy: -594.934475
where:
bonds (distance) C4'-P energy: -87.555
bonds (distance) P-C4' energy: -117.220
flat angles C4'-P-C4' energy: -134.361
flat angles P-C4'-P energy: -79.773
tors. eta vs tors. theta energy: -176.026
Dist. restrs. and SS energy: 16.445 (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: 4
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -1962.083467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1962.083467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1976.765507 (E_RNA)
where:
Base-Base interactions energy: -1389.850
where: short stacking energy: -574.194
Base-Backbone interact. energy: 0.732
local terms energy: -587.647809
where:
bonds (distance) C4'-P energy: -120.027
bonds (distance) P-C4' energy: -101.285
flat angles C4'-P-C4' energy: -126.967
flat angles P-C4'-P energy: -74.526
tors. eta vs tors. theta energy: -164.842
Dist. restrs. and SS energy: 14.682 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -2804.613597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2804.613597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2807.697717 (E_RNA)
where:
Base-Base interactions energy: -1968.793
where: short stacking energy: -835.368
Base-Backbone interact. energy: -3.926
local terms energy: -834.979573
where:
bonds (distance) C4'-P energy: -142.994
bonds (distance) P-C4' energy: -145.385
flat angles C4'-P-C4' energy: -159.397
flat angles P-C4'-P energy: -129.041
tors. eta vs tors. theta energy: -258.162
Dist. restrs. and SS energy: 3.084 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -2709.656883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2709.656883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2712.750063 (E_RNA)
where:
Base-Base interactions energy: -1895.202
where: short stacking energy: -767.302
Base-Backbone interact. energy: -1.404
local terms energy: -816.143803
where:
bonds (distance) C4'-P energy: -142.760
bonds (distance) P-C4' energy: -148.874
flat angles C4'-P-C4' energy: -169.158
flat angles P-C4'-P energy: -117.686
tors. eta vs tors. theta energy: -237.666
Dist. restrs. and SS energy: 3.093 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -2632.453535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2632.453535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2641.465378 (E_RNA)
where:
Base-Base interactions energy: -1846.162
where: short stacking energy: -778.185
Base-Backbone interact. energy: -0.565
local terms energy: -794.739076
where:
bonds (distance) C4'-P energy: -136.648
bonds (distance) P-C4' energy: -143.023
flat angles C4'-P-C4' energy: -169.383
flat angles P-C4'-P energy: -114.868
tors. eta vs tors. theta energy: -230.817
Dist. restrs. and SS energy: 9.012 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -2559.512458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2559.512458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2566.446533 (E_RNA)
where:
Base-Base interactions energy: -1779.285
where: short stacking energy: -763.844
Base-Backbone interact. energy: -1.832
local terms energy: -785.329234
where:
bonds (distance) C4'-P energy: -137.419
bonds (distance) P-C4' energy: -141.194
flat angles C4'-P-C4' energy: -169.711
flat angles P-C4'-P energy: -107.171
tors. eta vs tors. theta energy: -229.834
Dist. restrs. and SS energy: 6.934 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -2439.427857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2439.427857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2445.253528 (E_RNA)
where:
Base-Base interactions energy: -1715.419
where: short stacking energy: -727.317
Base-Backbone interact. energy: -4.211
local terms energy: -725.623350
where:
bonds (distance) C4'-P energy: -122.243
bonds (distance) P-C4' energy: -134.419
flat angles C4'-P-C4' energy: -154.280
flat angles P-C4'-P energy: -99.048
tors. eta vs tors. theta energy: -215.633
Dist. restrs. and SS energy: 5.826 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -2335.645134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2335.645134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2342.979499 (E_RNA)
where:
Base-Base interactions energy: -1664.036
where: short stacking energy: -701.341
Base-Backbone interact. energy: -0.192
local terms energy: -678.751732
where:
bonds (distance) C4'-P energy: -125.721
bonds (distance) P-C4' energy: -122.598
flat angles C4'-P-C4' energy: -148.871
flat angles P-C4'-P energy: -81.159
tors. eta vs tors. theta energy: -200.401
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: 7, replica: 7
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -2337.223845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2337.223845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2345.250680 (E_RNA)
where:
Base-Base interactions energy: -1662.011
where: short stacking energy: -684.962
Base-Backbone interact. energy: -3.629
local terms energy: -679.611318
where:
bonds (distance) C4'-P energy: -126.091
bonds (distance) P-C4' energy: -128.270
flat angles C4'-P-C4' energy: -144.103
flat angles P-C4'-P energy: -78.723
tors. eta vs tors. theta energy: -202.425
Dist. restrs. and SS energy: 8.027 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -2194.413970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2194.413970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2199.414631 (E_RNA)
where:
Base-Base interactions energy: -1573.675
where: short stacking energy: -665.044
Base-Backbone interact. energy: 3.446
local terms energy: -629.185435
where:
bonds (distance) C4'-P energy: -103.537
bonds (distance) P-C4' energy: -107.944
flat angles C4'-P-C4' energy: -132.303
flat angles P-C4'-P energy: -95.195
tors. eta vs tors. theta energy: -190.206
Dist. restrs. and SS energy: 5.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -2038.283284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2038.283284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2053.097407 (E_RNA)
where:
Base-Base interactions energy: -1458.813
where: short stacking energy: -604.241
Base-Backbone interact. energy: -3.547
local terms energy: -590.736936
where:
bonds (distance) C4'-P energy: -111.917
bonds (distance) P-C4' energy: -91.615
flat angles C4'-P-C4' energy: -134.811
flat angles P-C4'-P energy: -76.818
tors. eta vs tors. theta energy: -175.576
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: 10, replica: 4
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -1982.167156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1982.167156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1997.800619 (E_RNA)
where:
Base-Base interactions energy: -1404.309
where: short stacking energy: -567.305
Base-Backbone interact. energy: -2.090
local terms energy: -591.401648
where:
bonds (distance) C4'-P energy: -114.691
bonds (distance) P-C4' energy: -97.062
flat angles C4'-P-C4' energy: -139.467
flat angles P-C4'-P energy: -73.998
tors. eta vs tors. theta energy: -166.184
Dist. restrs. and SS energy: 15.633 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -2809.030285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2809.030285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2812.445025 (E_RNA)
where:
Base-Base interactions energy: -1935.271
where: short stacking energy: -846.270
Base-Backbone interact. energy: -0.762
local terms energy: -876.412035
where:
bonds (distance) C4'-P energy: -154.909
bonds (distance) P-C4' energy: -147.862
flat angles C4'-P-C4' energy: -183.633
flat angles P-C4'-P energy: -128.911
tors. eta vs tors. theta energy: -261.097
Dist. restrs. and SS energy: 3.415 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -2688.683026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2688.683026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2693.326422 (E_RNA)
where:
Base-Base interactions energy: -1887.074
where: short stacking energy: -801.189
Base-Backbone interact. energy: -1.291
local terms energy: -804.961400
where:
bonds (distance) C4'-P energy: -137.411
bonds (distance) P-C4' energy: -146.403
flat angles C4'-P-C4' energy: -166.364
flat angles P-C4'-P energy: -124.345
tors. eta vs tors. theta energy: -230.438
Dist. restrs. and SS energy: 4.643 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -2594.615029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2594.615029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2600.815173 (E_RNA)
where:
Base-Base interactions energy: -1836.140
where: short stacking energy: -758.777
Base-Backbone interact. energy: -3.668
local terms energy: -761.007586
where:
bonds (distance) C4'-P energy: -144.034
bonds (distance) P-C4' energy: -126.969
flat angles C4'-P-C4' energy: -163.890
flat angles P-C4'-P energy: -96.744
tors. eta vs tors. theta energy: -229.371
Dist. restrs. and SS energy: 6.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -2556.310696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2556.310696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2560.964507 (E_RNA)
where:
Base-Base interactions energy: -1782.028
where: short stacking energy: -744.395
Base-Backbone interact. energy: -1.551
local terms energy: -777.385163
where:
bonds (distance) C4'-P energy: -142.174
bonds (distance) P-C4' energy: -141.342
flat angles C4'-P-C4' energy: -160.649
flat angles P-C4'-P energy: -119.257
tors. eta vs tors. theta energy: -213.963
Dist. restrs. and SS energy: 4.654 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -2428.968077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2428.968077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2436.855510 (E_RNA)
where:
Base-Base interactions energy: -1695.758
where: short stacking energy: -709.174
Base-Backbone interact. energy: -5.239
local terms energy: -735.858775
where:
bonds (distance) C4'-P energy: -134.211
bonds (distance) P-C4' energy: -140.201
flat angles C4'-P-C4' energy: -144.168
flat angles P-C4'-P energy: -97.515
tors. eta vs tors. theta energy: -219.763
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: 9
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -2336.166793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2336.166793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2345.177185 (E_RNA)
where:
Base-Base interactions energy: -1629.420
where: short stacking energy: -707.051
Base-Backbone interact. energy: 3.444
local terms energy: -719.200876
where:
bonds (distance) C4'-P energy: -134.741
bonds (distance) P-C4' energy: -124.162
flat angles C4'-P-C4' energy: -147.093
flat angles P-C4'-P energy: -103.595
tors. eta vs tors. theta energy: -209.610
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: 7, replica: 7
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -2332.702656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2332.702656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2337.526719 (E_RNA)
where:
Base-Base interactions energy: -1635.607
where: short stacking energy: -663.100
Base-Backbone interact. energy: -1.389
local terms energy: -700.530776
where:
bonds (distance) C4'-P energy: -131.000
bonds (distance) P-C4' energy: -120.854
flat angles C4'-P-C4' energy: -150.219
flat angles P-C4'-P energy: -102.319
tors. eta vs tors. theta energy: -196.138
Dist. restrs. and SS energy: 4.824 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -2202.893309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2202.893309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2205.808589 (E_RNA)
where:
Base-Base interactions energy: -1527.836
where: short stacking energy: -633.077
Base-Backbone interact. energy: -5.606
local terms energy: -672.366380
where:
bonds (distance) C4'-P energy: -120.163
bonds (distance) P-C4' energy: -115.483
flat angles C4'-P-C4' energy: -147.301
flat angles P-C4'-P energy: -105.003
tors. eta vs tors. theta energy: -184.416
Dist. restrs. and SS energy: 2.915 (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: 6
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -2053.545359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2053.545359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2063.671888 (E_RNA)
where:
Base-Base interactions energy: -1442.034
where: short stacking energy: -601.258
Base-Backbone interact. energy: -3.289
local terms energy: -618.348324
where:
bonds (distance) C4'-P energy: -128.485
bonds (distance) P-C4' energy: -115.896
flat angles C4'-P-C4' energy: -110.065
flat angles P-C4'-P energy: -90.217
tors. eta vs tors. theta energy: -173.686
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: 10, replica: 4
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -1977.024562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1977.024562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1997.964971 (E_RNA)
where:
Base-Base interactions energy: -1404.827
where: short stacking energy: -582.730
Base-Backbone interact. energy: 0.106
local terms energy: -593.244324
where:
bonds (distance) C4'-P energy: -109.299
bonds (distance) P-C4' energy: -108.319
flat angles C4'-P-C4' energy: -139.149
flat angles P-C4'-P energy: -78.198
tors. eta vs tors. theta energy: -158.280
Dist. restrs. and SS energy: 20.940 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -2818.392294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2818.392294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2823.439867 (E_RNA)
where:
Base-Base interactions energy: -1962.582
where: short stacking energy: -834.069
Base-Backbone interact. energy: -3.791
local terms energy: -857.067524
where:
bonds (distance) C4'-P energy: -139.558
bonds (distance) P-C4' energy: -165.707
flat angles C4'-P-C4' energy: -169.441
flat angles P-C4'-P energy: -131.553
tors. eta vs tors. theta energy: -250.809
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: 2, replica: 5
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -2684.610656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2684.610656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2687.312128 (E_RNA)
where:
Base-Base interactions energy: -1899.801
where: short stacking energy: -818.583
Base-Backbone interact. energy: -2.943
local terms energy: -784.568521
where:
bonds (distance) C4'-P energy: -120.305
bonds (distance) P-C4' energy: -136.812
flat angles C4'-P-C4' energy: -175.060
flat angles P-C4'-P energy: -102.630
tors. eta vs tors. theta energy: -249.761
Dist. restrs. and SS energy: 2.701 (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: 10
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -2556.948976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2556.948976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2566.012858 (E_RNA)
where:
Base-Base interactions energy: -1797.379
where: short stacking energy: -772.255
Base-Backbone interact. energy: -2.434
local terms energy: -766.200084
where:
bonds (distance) C4'-P energy: -124.026
bonds (distance) P-C4' energy: -134.633
flat angles C4'-P-C4' energy: -167.895
flat angles P-C4'-P energy: -107.002
tors. eta vs tors. theta energy: -232.645
Dist. restrs. and SS energy: 9.064 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -2545.242307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2545.242307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2548.229558 (E_RNA)
where:
Base-Base interactions energy: -1786.072
where: short stacking energy: -768.151
Base-Backbone interact. energy: -3.068
local terms energy: -759.089536
where:
bonds (distance) C4'-P energy: -128.007
bonds (distance) P-C4' energy: -122.481
flat angles C4'-P-C4' energy: -169.874
flat angles P-C4'-P energy: -105.562
tors. eta vs tors. theta energy: -233.166
Dist. restrs. and SS energy: 2.987 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -2436.448369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2436.448369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2445.000489 (E_RNA)
where:
Base-Base interactions energy: -1722.612
where: short stacking energy: -724.698
Base-Backbone interact. energy: 1.169
local terms energy: -723.557527
where:
bonds (distance) C4'-P energy: -130.349
bonds (distance) P-C4' energy: -120.403
flat angles C4'-P-C4' energy: -150.478
flat angles P-C4'-P energy: -103.816
tors. eta vs tors. theta energy: -218.512
Dist. restrs. and SS energy: 8.552 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -2362.970897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2362.970897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2369.176203 (E_RNA)
where:
Base-Base interactions energy: -1670.730
where: short stacking energy: -694.410
Base-Backbone interact. energy: 0.073
local terms energy: -698.519204
where:
bonds (distance) C4'-P energy: -118.673
bonds (distance) P-C4' energy: -115.741
flat angles C4'-P-C4' energy: -156.697
flat angles P-C4'-P energy: -101.751
tors. eta vs tors. theta energy: -205.658
Dist. restrs. and SS energy: 6.205 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -2289.621896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2289.621896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2299.213440 (E_RNA)
where:
Base-Base interactions energy: -1639.579
where: short stacking energy: -677.324
Base-Backbone interact. energy: -2.810
local terms energy: -656.824124
where:
bonds (distance) C4'-P energy: -99.825
bonds (distance) P-C4' energy: -119.107
flat angles C4'-P-C4' energy: -155.944
flat angles P-C4'-P energy: -86.449
tors. eta vs tors. theta energy: -195.498
Dist. restrs. and SS energy: 9.592 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -2216.737820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2216.737820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2221.680822 (E_RNA)
where:
Base-Base interactions energy: -1564.433
where: short stacking energy: -654.635
Base-Backbone interact. energy: -2.194
local terms energy: -655.053126
where:
bonds (distance) C4'-P energy: -113.278
bonds (distance) P-C4' energy: -131.641
flat angles C4'-P-C4' energy: -125.695
flat angles P-C4'-P energy: -96.415
tors. eta vs tors. theta energy: -188.024
Dist. restrs. and SS energy: 4.943 (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: 6
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -2027.767196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2027.767196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2049.483485 (E_RNA)
where:
Base-Base interactions energy: -1454.886
where: short stacking energy: -621.713
Base-Backbone interact. energy: -1.069
local terms energy: -593.528422
where:
bonds (distance) C4'-P energy: -103.976
bonds (distance) P-C4' energy: -114.549
flat angles C4'-P-C4' energy: -124.537
flat angles P-C4'-P energy: -81.429
tors. eta vs tors. theta energy: -169.038
Dist. restrs. and SS energy: 21.716 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -1912.764490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.764490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1935.952017 (E_RNA)
where:
Base-Base interactions energy: -1334.054
where: short stacking energy: -544.394
Base-Backbone interact. energy: -2.437
local terms energy: -599.461269
where:
bonds (distance) C4'-P energy: -107.228
bonds (distance) P-C4' energy: -126.400
flat angles C4'-P-C4' energy: -135.599
flat angles P-C4'-P energy: -75.714
tors. eta vs tors. theta energy: -154.520
Dist. restrs. and SS energy: 23.188 (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: 2
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -2819.174138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2819.174138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2822.246851 (E_RNA)
where:
Base-Base interactions energy: -1983.141
where: short stacking energy: -841.757
Base-Backbone interact. energy: -3.927
local terms energy: -835.179002
where:
bonds (distance) C4'-P energy: -143.697
bonds (distance) P-C4' energy: -141.737
flat angles C4'-P-C4' energy: -179.059
flat angles P-C4'-P energy: -113.820
tors. eta vs tors. theta energy: -256.866
Dist. restrs. and SS energy: 3.073 (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: 5
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -2709.747212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2709.747212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2713.330165 (E_RNA)
where:
Base-Base interactions energy: -1917.111
where: short stacking energy: -795.896
Base-Backbone interact. energy: 1.866
local terms energy: -798.085071
where:
bonds (distance) C4'-P energy: -152.882
bonds (distance) P-C4' energy: -135.664
flat angles C4'-P-C4' energy: -167.710
flat angles P-C4'-P energy: -101.158
tors. eta vs tors. theta energy: -240.672
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: 3, replica: 8
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -2596.068678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2596.068678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2601.148525 (E_RNA)
where:
Base-Base interactions energy: -1801.634
where: short stacking energy: -775.411
Base-Backbone interact. energy: -3.893
local terms energy: -795.621575
where:
bonds (distance) C4'-P energy: -149.095
bonds (distance) P-C4' energy: -141.003
flat angles C4'-P-C4' energy: -162.065
flat angles P-C4'-P energy: -114.838
tors. eta vs tors. theta energy: -228.620
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: 4, replica: 10
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -2536.422455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2536.422455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2543.543393 (E_RNA)
where:
Base-Base interactions energy: -1783.069
where: short stacking energy: -753.223
Base-Backbone interact. energy: -1.437
local terms energy: -759.037160
where:
bonds (distance) C4'-P energy: -118.654
bonds (distance) P-C4' energy: -139.589
flat angles C4'-P-C4' energy: -152.529
flat angles P-C4'-P energy: -115.975
tors. eta vs tors. theta energy: -232.290
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: 5, replica: 3
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -2456.738029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2456.738029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2462.517701 (E_RNA)
where:
Base-Base interactions energy: -1732.610
where: short stacking energy: -729.505
Base-Backbone interact. energy: -2.097
local terms energy: -727.811157
where:
bonds (distance) C4'-P energy: -133.645
bonds (distance) P-C4' energy: -142.097
flat angles C4'-P-C4' energy: -150.949
flat angles P-C4'-P energy: -90.924
tors. eta vs tors. theta energy: -210.196
Dist. restrs. and SS energy: 5.780 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -2337.112811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2337.112811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2350.977165 (E_RNA)
where:
Base-Base interactions energy: -1627.923
where: short stacking energy: -690.167
Base-Backbone interact. energy: 1.360
local terms energy: -724.413327
where:
bonds (distance) C4'-P energy: -117.462
bonds (distance) P-C4' energy: -127.436
flat angles C4'-P-C4' energy: -157.038
flat angles P-C4'-P energy: -104.801
tors. eta vs tors. theta energy: -217.677
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: 7, replica: 9
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -2307.200348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2307.200348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2316.933182 (E_RNA)
where:
Base-Base interactions energy: -1659.410
where: short stacking energy: -675.747
Base-Backbone interact. energy: 3.936
local terms energy: -661.459462
where:
bonds (distance) C4'-P energy: -121.758
bonds (distance) P-C4' energy: -119.139
flat angles C4'-P-C4' energy: -147.674
flat angles P-C4'-P energy: -76.079
tors. eta vs tors. theta energy: -196.810
Dist. restrs. and SS energy: 9.733 (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: 1
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -2199.718743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2199.718743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2204.194293 (E_RNA)
where:
Base-Base interactions energy: -1580.476
where: short stacking energy: -632.728
Base-Backbone interact. energy: -4.008
local terms energy: -619.710556
where:
bonds (distance) C4'-P energy: -117.394
bonds (distance) P-C4' energy: -116.291
flat angles C4'-P-C4' energy: -137.022
flat angles P-C4'-P energy: -74.623
tors. eta vs tors. theta energy: -174.379
Dist. restrs. and SS energy: 4.476 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -2032.246996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2032.246996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2053.041100 (E_RNA)
where:
Base-Base interactions energy: -1414.557
where: short stacking energy: -598.037
Base-Backbone interact. energy: 2.967
local terms energy: -641.450740
where:
bonds (distance) C4'-P energy: -109.109
bonds (distance) P-C4' energy: -113.070
flat angles C4'-P-C4' energy: -143.778
flat angles P-C4'-P energy: -90.255
tors. eta vs tors. theta energy: -185.239
Dist. restrs. and SS energy: 20.794 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -2041.999605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2041.999605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2062.476212 (E_RNA)
where:
Base-Base interactions energy: -1411.404
where: short stacking energy: -601.507
Base-Backbone interact. energy: -2.569
local terms energy: -648.502670
where:
bonds (distance) C4'-P energy: -96.126
bonds (distance) P-C4' energy: -138.951
flat angles C4'-P-C4' energy: -140.230
flat angles P-C4'-P energy: -91.030
tors. eta vs tors. theta energy: -182.165
Dist. restrs. and SS energy: 20.477 (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: 2
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -2804.880375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2804.880375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2807.054569 (E_RNA)
where:
Base-Base interactions energy: -1971.806
where: short stacking energy: -848.115
Base-Backbone interact. energy: -2.339
local terms energy: -832.909085
where:
bonds (distance) C4'-P energy: -138.084
bonds (distance) P-C4' energy: -141.743
flat angles C4'-P-C4' energy: -169.041
flat angles P-C4'-P energy: -123.096
tors. eta vs tors. theta energy: -260.944
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: 5
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -2685.845196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2685.845196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2688.450794 (E_RNA)
where:
Base-Base interactions energy: -1863.772
where: short stacking energy: -760.807
Base-Backbone interact. energy: -1.462
local terms energy: -823.217092
where:
bonds (distance) C4'-P energy: -154.692
bonds (distance) P-C4' energy: -155.503
flat angles C4'-P-C4' energy: -165.789
flat angles P-C4'-P energy: -119.025
tors. eta vs tors. theta energy: -228.209
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: 3, replica: 8
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -2593.378573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2593.378573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2596.808147 (E_RNA)
where:
Base-Base interactions energy: -1826.521
where: short stacking energy: -764.633
Base-Backbone interact. energy: -1.373
local terms energy: -768.914684
where:
bonds (distance) C4'-P energy: -146.403
bonds (distance) P-C4' energy: -115.149
flat angles C4'-P-C4' energy: -162.354
flat angles P-C4'-P energy: -118.028
tors. eta vs tors. theta energy: -226.981
Dist. restrs. and SS energy: 3.430 (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: 10
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -2484.784505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2484.784505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2491.805479 (E_RNA)
where:
Base-Base interactions energy: -1762.069
where: short stacking energy: -753.480
Base-Backbone interact. energy: -1.164
local terms energy: -728.572750
where:
bonds (distance) C4'-P energy: -123.962
bonds (distance) P-C4' energy: -132.571
flat angles C4'-P-C4' energy: -150.893
flat angles P-C4'-P energy: -105.092
tors. eta vs tors. theta energy: -216.054
Dist. restrs. and SS energy: 7.021 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -2426.647790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2426.647790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2433.624402 (E_RNA)
where:
Base-Base interactions energy: -1710.132
where: short stacking energy: -718.239
Base-Backbone interact. energy: 0.222
local terms energy: -723.714096
where:
bonds (distance) C4'-P energy: -123.791
bonds (distance) P-C4' energy: -133.593
flat angles C4'-P-C4' energy: -151.540
flat angles P-C4'-P energy: -93.039
tors. eta vs tors. theta energy: -221.752
Dist. restrs. and SS energy: 6.977 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -2368.938809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2368.938809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2376.329732 (E_RNA)
where:
Base-Base interactions energy: -1666.716
where: short stacking energy: -713.297
Base-Backbone interact. energy: -0.858
local terms energy: -708.755299
where:
bonds (distance) C4'-P energy: -128.555
bonds (distance) P-C4' energy: -110.684
flat angles C4'-P-C4' energy: -153.223
flat angles P-C4'-P energy: -107.525
tors. eta vs tors. theta energy: -208.768
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: 7, replica: 7
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -2340.719356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2340.719356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2355.171134 (E_RNA)
where:
Base-Base interactions energy: -1642.710
where: short stacking energy: -703.476
Base-Backbone interact. energy: -3.402
local terms energy: -709.059386
where:
bonds (distance) C4'-P energy: -113.152
bonds (distance) P-C4' energy: -121.957
flat angles C4'-P-C4' energy: -161.357
flat angles P-C4'-P energy: -104.253
tors. eta vs tors. theta energy: -208.340
Dist. restrs. and SS energy: 14.452 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -2207.305596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2207.305596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2215.015798 (E_RNA)
where:
Base-Base interactions energy: -1571.678
where: short stacking energy: -634.640
Base-Backbone interact. energy: -1.451
local terms energy: -641.886943
where:
bonds (distance) C4'-P energy: -123.042
bonds (distance) P-C4' energy: -108.885
flat angles C4'-P-C4' energy: -127.439
flat angles P-C4'-P energy: -101.162
tors. eta vs tors. theta energy: -181.358
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: 9, replica: 6
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -2035.974747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2035.974747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2043.608635 (E_RNA)
where:
Base-Base interactions energy: -1438.448
where: short stacking energy: -586.995
Base-Backbone interact. energy: 3.292
local terms energy: -608.452698
where:
bonds (distance) C4'-P energy: -99.741
bonds (distance) P-C4' energy: -130.657
flat angles C4'-P-C4' energy: -130.384
flat angles P-C4'-P energy: -88.693
tors. eta vs tors. theta energy: -158.978
Dist. restrs. and SS energy: 7.634 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -2029.949296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2029.949296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2048.234394 (E_RNA)
where:
Base-Base interactions energy: -1422.962
where: short stacking energy: -588.007
Base-Backbone interact. energy: -1.632
local terms energy: -623.640261
where:
bonds (distance) C4'-P energy: -107.145
bonds (distance) P-C4' energy: -132.517
flat angles C4'-P-C4' energy: -140.006
flat angles P-C4'-P energy: -76.179
tors. eta vs tors. theta energy: -167.794
Dist. restrs. and SS energy: 18.285 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -2778.633373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2778.633373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2781.021688 (E_RNA)
where:
Base-Base interactions energy: -1937.820
where: short stacking energy: -824.622
Base-Backbone interact. energy: -1.488
local terms energy: -841.713963
where:
bonds (distance) C4'-P energy: -156.660
bonds (distance) P-C4' energy: -142.570
flat angles C4'-P-C4' energy: -176.198
flat angles P-C4'-P energy: -125.208
tors. eta vs tors. theta energy: -241.077
Dist. restrs. and SS energy: 2.388 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -2678.788610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2678.788610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2684.264697 (E_RNA)
where:
Base-Base interactions energy: -1890.419
where: short stacking energy: -806.142
Base-Backbone interact. energy: -5.114
local terms energy: -788.732367
where:
bonds (distance) C4'-P energy: -146.154
bonds (distance) P-C4' energy: -139.981
flat angles C4'-P-C4' energy: -166.696
flat angles P-C4'-P energy: -101.630
tors. eta vs tors. theta energy: -234.270
Dist. restrs. and SS energy: 5.476 (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: 416
Temperature: 1.000000
Total energy: -2603.743664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2603.743664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2607.342302 (E_RNA)
where:
Base-Base interactions energy: -1808.865
where: short stacking energy: -770.504
Base-Backbone interact. energy: -2.517
local terms energy: -795.960360
where:
bonds (distance) C4'-P energy: -140.648
bonds (distance) P-C4' energy: -139.499
flat angles C4'-P-C4' energy: -162.879
flat angles P-C4'-P energy: -118.923
tors. eta vs tors. theta energy: -234.012
Dist. restrs. and SS energy: 3.599 (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: 10
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -2508.310705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2508.310705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2512.249363 (E_RNA)
where:
Base-Base interactions energy: -1760.338
where: short stacking energy: -748.358
Base-Backbone interact. energy: -2.721
local terms energy: -749.190626
where:
bonds (distance) C4'-P energy: -122.220
bonds (distance) P-C4' energy: -148.710
flat angles C4'-P-C4' energy: -164.372
flat angles P-C4'-P energy: -89.350
tors. eta vs tors. theta energy: -224.538
Dist. restrs. and SS energy: 3.939 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -2406.318630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2406.318630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2411.022578 (E_RNA)
where:
Base-Base interactions energy: -1668.847
where: short stacking energy: -690.857
Base-Backbone interact. energy: -2.393
local terms energy: -739.782884
where:
bonds (distance) C4'-P energy: -145.642
bonds (distance) P-C4' energy: -122.417
flat angles C4'-P-C4' energy: -156.169
flat angles P-C4'-P energy: -105.288
tors. eta vs tors. theta energy: -210.266
Dist. restrs. and SS energy: 4.704 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -2360.677666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2360.677666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2368.408206 (E_RNA)
where:
Base-Base interactions energy: -1657.390
where: short stacking energy: -686.977
Base-Backbone interact. energy: -2.629
local terms energy: -708.389049
where:
bonds (distance) C4'-P energy: -131.524
bonds (distance) P-C4' energy: -132.547
flat angles C4'-P-C4' energy: -138.629
flat angles P-C4'-P energy: -99.238
tors. eta vs tors. theta energy: -206.451
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: 7, replica: 7
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -2358.490464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2358.490464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2365.753834 (E_RNA)
where:
Base-Base interactions energy: -1648.804
where: short stacking energy: -695.859
Base-Backbone interact. energy: -0.783
local terms energy: -716.166397
where:
bonds (distance) C4'-P energy: -130.468
bonds (distance) P-C4' energy: -128.967
flat angles C4'-P-C4' energy: -145.182
flat angles P-C4'-P energy: -95.498
tors. eta vs tors. theta energy: -216.051
Dist. restrs. and SS energy: 7.263 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -2187.625089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2187.625089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2192.616403 (E_RNA)
where:
Base-Base interactions energy: -1545.138
where: short stacking energy: -624.845
Base-Backbone interact. energy: 0.614
local terms energy: -648.092624
where:
bonds (distance) C4'-P energy: -127.276
bonds (distance) P-C4' energy: -110.525
flat angles C4'-P-C4' energy: -141.482
flat angles P-C4'-P energy: -95.165
tors. eta vs tors. theta energy: -173.645
Dist. restrs. and SS energy: 4.991 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -2029.179047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2029.179047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2037.528270 (E_RNA)
where:
Base-Base interactions energy: -1479.275
where: short stacking energy: -606.923
Base-Backbone interact. energy: -1.019
local terms energy: -557.233920
where:
bonds (distance) C4'-P energy: -86.597
bonds (distance) P-C4' energy: -93.449
flat angles C4'-P-C4' energy: -135.948
flat angles P-C4'-P energy: -76.261
tors. eta vs tors. theta energy: -164.978
Dist. restrs. and SS energy: 8.349 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -1957.094400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1957.094400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1974.284605 (E_RNA)
where:
Base-Base interactions energy: -1412.713
where: short stacking energy: -579.986
Base-Backbone interact. energy: 4.261
local terms energy: -565.833057
where:
bonds (distance) C4'-P energy: -115.926
bonds (distance) P-C4' energy: -112.754
flat angles C4'-P-C4' energy: -108.808
flat angles P-C4'-P energy: -61.155
tors. eta vs tors. theta energy: -167.189
Dist. restrs. and SS energy: 17.190 (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: 2
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -2800.827277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2800.827277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2803.599836 (E_RNA)
where:
Base-Base interactions energy: -1991.632
where: short stacking energy: -852.138
Base-Backbone interact. energy: -3.508
local terms energy: -808.459605
where:
bonds (distance) C4'-P energy: -132.851
bonds (distance) P-C4' energy: -143.680
flat angles C4'-P-C4' energy: -162.962
flat angles P-C4'-P energy: -117.282
tors. eta vs tors. theta energy: -251.686
Dist. restrs. and SS energy: 2.773 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -2683.594115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2683.594115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2687.171093 (E_RNA)
where:
Base-Base interactions energy: -1885.755
where: short stacking energy: -785.004
Base-Backbone interact. energy: -4.788
local terms energy: -796.627807
where:
bonds (distance) C4'-P energy: -133.124
bonds (distance) P-C4' energy: -151.801
flat angles C4'-P-C4' energy: -159.866
flat angles P-C4'-P energy: -120.382
tors. eta vs tors. theta energy: -231.455
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: 3, replica: 8
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -2604.339799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2604.339799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2608.306612 (E_RNA)
where:
Base-Base interactions energy: -1837.831
where: short stacking energy: -771.516
Base-Backbone interact. energy: -2.414
local terms energy: -768.061599
where:
bonds (distance) C4'-P energy: -128.928
bonds (distance) P-C4' energy: -129.553
flat angles C4'-P-C4' energy: -171.387
flat angles P-C4'-P energy: -111.366
tors. eta vs tors. theta energy: -226.827
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: 4, replica: 9
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -2445.409501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2445.409501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2453.385822 (E_RNA)
where:
Base-Base interactions energy: -1727.425
where: short stacking energy: -717.277
Base-Backbone interact. energy: -3.620
local terms energy: -722.340319
where:
bonds (distance) C4'-P energy: -119.434
bonds (distance) P-C4' energy: -131.149
flat angles C4'-P-C4' energy: -163.738
flat angles P-C4'-P energy: -96.107
tors. eta vs tors. theta energy: -211.914
Dist. restrs. and SS energy: 7.976 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -2448.505462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2448.505462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2455.454857 (E_RNA)
where:
Base-Base interactions energy: -1737.028
where: short stacking energy: -723.152
Base-Backbone interact. energy: 4.215
local terms energy: -722.642125
where:
bonds (distance) C4'-P energy: -118.270
bonds (distance) P-C4' energy: -120.888
flat angles C4'-P-C4' energy: -159.297
flat angles P-C4'-P energy: -97.001
tors. eta vs tors. theta energy: -227.186
Dist. restrs. and SS energy: 6.949 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -2423.414242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2423.414242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2431.884488 (E_RNA)
where:
Base-Base interactions energy: -1683.359
where: short stacking energy: -724.736
Base-Backbone interact. energy: -2.974
local terms energy: -745.551347
where:
bonds (distance) C4'-P energy: -110.933
bonds (distance) P-C4' energy: -136.039
flat angles C4'-P-C4' energy: -169.379
flat angles P-C4'-P energy: -104.442
tors. eta vs tors. theta energy: -224.759
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: 7, replica: 7
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -2280.933353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2280.933353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2294.168062 (E_RNA)
where:
Base-Base interactions energy: -1624.198
where: short stacking energy: -691.606
Base-Backbone interact. energy: -0.371
local terms energy: -669.598424
where:
bonds (distance) C4'-P energy: -104.714
bonds (distance) P-C4' energy: -114.487
flat angles C4'-P-C4' energy: -146.925
flat angles P-C4'-P energy: -90.823
tors. eta vs tors. theta energy: -212.650
Dist. restrs. and SS energy: 13.235 (S_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: 417
Temperature: 1.250000
Total energy: -2142.757019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2142.757019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2151.002264 (E_RNA)
where:
Base-Base interactions energy: -1503.757
where: short stacking energy: -617.407
Base-Backbone interact. energy: 3.221
local terms energy: -650.465997
where:
bonds (distance) C4'-P energy: -119.703
bonds (distance) P-C4' energy: -124.674
flat angles C4'-P-C4' energy: -135.322
flat angles P-C4'-P energy: -96.624
tors. eta vs tors. theta energy: -174.144
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: 6
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -2018.642372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.642372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2034.451526 (E_RNA)
where:
Base-Base interactions energy: -1423.150
where: short stacking energy: -594.240
Base-Backbone interact. energy: 1.458
local terms energy: -612.759723
where:
bonds (distance) C4'-P energy: -107.677
bonds (distance) P-C4' energy: -111.696
flat angles C4'-P-C4' energy: -150.741
flat angles P-C4'-P energy: -82.050
tors. eta vs tors. theta energy: -160.596
Dist. restrs. and SS energy: 15.809 (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: 4
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -1995.238376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1995.238376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2014.662281 (E_RNA)
where:
Base-Base interactions energy: -1407.950
where: short stacking energy: -589.071
Base-Backbone interact. energy: -4.111
local terms energy: -602.600610
where:
bonds (distance) C4'-P energy: -113.797
bonds (distance) P-C4' energy: -103.500
flat angles C4'-P-C4' energy: -133.631
flat angles P-C4'-P energy: -86.162
tors. eta vs tors. theta energy: -165.511
Dist. restrs. and SS energy: 19.424 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -2792.174004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2792.174004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2794.955693 (E_RNA)
where:
Base-Base interactions energy: -1951.359
where: short stacking energy: -831.040
Base-Backbone interact. energy: -3.253
local terms energy: -840.343273
where:
bonds (distance) C4'-P energy: -144.117
bonds (distance) P-C4' energy: -149.712
flat angles C4'-P-C4' energy: -173.908
flat angles P-C4'-P energy: -116.549
tors. eta vs tors. theta energy: -256.057
Dist. restrs. and SS energy: 2.782 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -2676.415534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2676.415534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2682.423266 (E_RNA)
where:
Base-Base interactions energy: -1899.471
where: short stacking energy: -760.231
Base-Backbone interact. energy: -2.555
local terms energy: -780.397424
where:
bonds (distance) C4'-P energy: -140.212
bonds (distance) P-C4' energy: -145.602
flat angles C4'-P-C4' energy: -158.819
flat angles P-C4'-P energy: -114.966
tors. eta vs tors. theta energy: -220.798
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: 3, replica: 8
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -2595.097548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2595.097548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2598.500781 (E_RNA)
where:
Base-Base interactions energy: -1798.493
where: short stacking energy: -769.919
Base-Backbone interact. energy: 1.878
local terms energy: -801.885903
where:
bonds (distance) C4'-P energy: -135.713
bonds (distance) P-C4' energy: -140.569
flat angles C4'-P-C4' energy: -168.104
flat angles P-C4'-P energy: -122.786
tors. eta vs tors. theta energy: -234.713
Dist. restrs. and SS energy: 3.403 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -2494.745895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2494.745895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2505.997852 (E_RNA)
where:
Base-Base interactions energy: -1745.156
where: short stacking energy: -751.795
Base-Backbone interact. energy: 1.993
local terms energy: -762.835101
where:
bonds (distance) C4'-P energy: -123.779
bonds (distance) P-C4' energy: -147.718
flat angles C4'-P-C4' energy: -163.864
flat angles P-C4'-P energy: -114.578
tors. eta vs tors. theta energy: -212.896
Dist. restrs. and SS energy: 11.252 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -2421.530239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2421.530239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2427.816526 (E_RNA)
where:
Base-Base interactions energy: -1722.629
where: short stacking energy: -718.308
Base-Backbone interact. energy: 6.167
local terms energy: -711.354362
where:
bonds (distance) C4'-P energy: -113.788
bonds (distance) P-C4' energy: -126.294
flat angles C4'-P-C4' energy: -157.225
flat angles P-C4'-P energy: -95.941
tors. eta vs tors. theta energy: -218.106
Dist. restrs. and SS energy: 6.286 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -2353.043931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2353.043931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2359.480565 (E_RNA)
where:
Base-Base interactions energy: -1661.681
where: short stacking energy: -703.103
Base-Backbone interact. energy: -2.901
local terms energy: -694.898305
where:
bonds (distance) C4'-P energy: -124.158
bonds (distance) P-C4' energy: -122.019
flat angles C4'-P-C4' energy: -151.604
flat angles P-C4'-P energy: -91.252
tors. eta vs tors. theta energy: -205.866
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: 7, replica: 7
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -2321.254904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2321.254904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2330.803332 (E_RNA)
where:
Base-Base interactions energy: -1649.674
where: short stacking energy: -671.333
Base-Backbone interact. energy: 2.255
local terms energy: -683.384054
where:
bonds (distance) C4'-P energy: -120.660
bonds (distance) P-C4' energy: -128.709
flat angles C4'-P-C4' energy: -150.767
flat angles P-C4'-P energy: -84.382
tors. eta vs tors. theta energy: -198.866
Dist. restrs. and SS energy: 9.548 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -2156.369582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2156.369582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2163.422797 (E_RNA)
where:
Base-Base interactions energy: -1548.017
where: short stacking energy: -646.036
Base-Backbone interact. energy: 2.082
local terms energy: -617.487806
where:
bonds (distance) C4'-P energy: -99.656
bonds (distance) P-C4' energy: -125.396
flat angles C4'-P-C4' energy: -122.863
flat angles P-C4'-P energy: -77.271
tors. eta vs tors. theta energy: -192.301
Dist. restrs. and SS energy: 7.053 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -2020.477073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2020.477073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2036.877603 (E_RNA)
where:
Base-Base interactions energy: -1408.564
where: short stacking energy: -572.284
Base-Backbone interact. energy: 4.045
local terms energy: -632.358097
where:
bonds (distance) C4'-P energy: -101.515
bonds (distance) P-C4' energy: -124.698
flat angles C4'-P-C4' energy: -148.079
flat angles P-C4'-P energy: -85.978
tors. eta vs tors. theta energy: -172.089
Dist. restrs. and SS energy: 16.401 (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: 418
Temperature: 1.350000
Total energy: -1978.876525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1978.876525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2001.810839 (E_RNA)
where:
Base-Base interactions energy: -1408.237
where: short stacking energy: -561.337
Base-Backbone interact. energy: -2.403
local terms energy: -591.171284
where:
bonds (distance) C4'-P energy: -104.342
bonds (distance) P-C4' energy: -119.934
flat angles C4'-P-C4' energy: -124.255
flat angles P-C4'-P energy: -86.004
tors. eta vs tors. theta energy: -156.637
Dist. restrs. and SS energy: 22.934 (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: 2
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -2804.972185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2804.972185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2808.664611 (E_RNA)
where:
Base-Base interactions energy: -1968.718
where: short stacking energy: -816.467
Base-Backbone interact. energy: -2.241
local terms energy: -837.705352
where:
bonds (distance) C4'-P energy: -140.064
bonds (distance) P-C4' energy: -158.073
flat angles C4'-P-C4' energy: -173.237
flat angles P-C4'-P energy: -115.134
tors. eta vs tors. theta energy: -251.197
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: 2, replica: 5
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -2692.838746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2692.838746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2700.535070 (E_RNA)
where:
Base-Base interactions energy: -1897.381
where: short stacking energy: -804.967
Base-Backbone interact. energy: -5.468
local terms energy: -797.686515
where:
bonds (distance) C4'-P energy: -144.989
bonds (distance) P-C4' energy: -145.454
flat angles C4'-P-C4' energy: -157.296
flat angles P-C4'-P energy: -113.680
tors. eta vs tors. theta energy: -236.267
Dist. restrs. and SS energy: 7.696 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -2644.998047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2644.998047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2651.684571 (E_RNA)
where:
Base-Base interactions energy: -1833.619
where: short stacking energy: -777.956
Base-Backbone interact. energy: -0.594
local terms energy: -817.471240
where:
bonds (distance) C4'-P energy: -149.454
bonds (distance) P-C4' energy: -158.290
flat angles C4'-P-C4' energy: -172.192
flat angles P-C4'-P energy: -114.742
tors. eta vs tors. theta energy: -222.794
Dist. restrs. and SS energy: 6.687 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -2499.773118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2499.773118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2508.957561 (E_RNA)
where:
Base-Base interactions energy: -1763.353
where: short stacking energy: -732.835
Base-Backbone interact. energy: -2.260
local terms energy: -743.344851
where:
bonds (distance) C4'-P energy: -136.519
bonds (distance) P-C4' energy: -132.112
flat angles C4'-P-C4' energy: -162.636
flat angles P-C4'-P energy: -101.497
tors. eta vs tors. theta energy: -210.581
Dist. restrs. and SS energy: 9.184 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -2439.117651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2439.117651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2444.522464 (E_RNA)
where:
Base-Base interactions energy: -1720.849
where: short stacking energy: -726.570
Base-Backbone interact. energy: -0.009
local terms energy: -723.663795
where:
bonds (distance) C4'-P energy: -126.306
bonds (distance) P-C4' energy: -129.883
flat angles C4'-P-C4' energy: -157.263
flat angles P-C4'-P energy: -99.642
tors. eta vs tors. theta energy: -210.569
Dist. restrs. and SS energy: 5.405 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -2372.793399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2372.793399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2384.492235 (E_RNA)
where:
Base-Base interactions energy: -1668.223
where: short stacking energy: -711.802
Base-Backbone interact. energy: -2.345
local terms energy: -713.924013
where:
bonds (distance) C4'-P energy: -117.112
bonds (distance) P-C4' energy: -119.905
flat angles C4'-P-C4' energy: -168.550
flat angles P-C4'-P energy: -93.277
tors. eta vs tors. theta energy: -215.079
Dist. restrs. and SS energy: 11.699 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -2311.343885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2311.343885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2321.728458 (E_RNA)
where:
Base-Base interactions energy: -1647.819
where: short stacking energy: -712.777
Base-Backbone interact. energy: 2.225
local terms energy: -676.134537
where:
bonds (distance) C4'-P energy: -117.025
bonds (distance) P-C4' energy: -132.239
flat angles C4'-P-C4' energy: -124.371
flat angles P-C4'-P energy: -99.765
tors. eta vs tors. theta energy: -202.734
Dist. restrs. and SS energy: 10.385 (S_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: 419
Temperature: 1.250000
Total energy: -2265.832272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2265.832272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2273.151102 (E_RNA)
where:
Base-Base interactions energy: -1611.762
where: short stacking energy: -675.780
Base-Backbone interact. energy: -1.923
local terms energy: -659.465625
where:
bonds (distance) C4'-P energy: -118.263
bonds (distance) P-C4' energy: -116.681
flat angles C4'-P-C4' energy: -138.848
flat angles P-C4'-P energy: -81.867
tors. eta vs tors. theta energy: -203.807
Dist. restrs. and SS energy: 7.319 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -2013.281836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2013.281836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2032.980461 (E_RNA)
where:
Base-Base interactions energy: -1412.199
where: short stacking energy: -588.267
Base-Backbone interact. energy: 0.530
local terms energy: -621.311708
where:
bonds (distance) C4'-P energy: -106.415
bonds (distance) P-C4' energy: -135.272
flat angles C4'-P-C4' energy: -133.989
flat angles P-C4'-P energy: -83.253
tors. eta vs tors. theta energy: -162.383
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: 10, replica: 4
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -1922.357680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.357680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.527900 (E_RNA)
where:
Base-Base interactions energy: -1410.774
where: short stacking energy: -562.955
Base-Backbone interact. energy: 1.357
local terms energy: -528.110594
where:
bonds (distance) C4'-P energy: -83.675
bonds (distance) P-C4' energy: -131.190
flat angles C4'-P-C4' energy: -106.602
flat angles P-C4'-P energy: -64.725
tors. eta vs tors. theta energy: -141.918
Dist. restrs. and SS energy: 15.170 (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: 2
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -2839.547494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2839.547494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2843.803745 (E_RNA)
where:
Base-Base interactions energy: -1996.719
where: short stacking energy: -844.493
Base-Backbone interact. energy: -3.791
local terms energy: -843.294432
where:
bonds (distance) C4'-P energy: -140.368
bonds (distance) P-C4' energy: -145.122
flat angles C4'-P-C4' energy: -173.442
flat angles P-C4'-P energy: -120.271
tors. eta vs tors. theta energy: -264.090
Dist. restrs. and SS energy: 4.256 (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: 5
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -2655.099932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2655.099932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2658.864866 (E_RNA)
where:
Base-Base interactions energy: -1860.282
where: short stacking energy: -787.285
Base-Backbone interact. energy: -1.422
local terms energy: -797.161072
where:
bonds (distance) C4'-P energy: -142.695
bonds (distance) P-C4' energy: -138.519
flat angles C4'-P-C4' energy: -156.166
flat angles P-C4'-P energy: -116.794
tors. eta vs tors. theta energy: -242.986
Dist. restrs. and SS energy: 3.765 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -2630.103127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2630.103127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2633.372529 (E_RNA)
where:
Base-Base interactions energy: -1831.560
where: short stacking energy: -792.960
Base-Backbone interact. energy: 0.874
local terms energy: -802.686859
where:
bonds (distance) C4'-P energy: -123.214
bonds (distance) P-C4' energy: -157.293
flat angles C4'-P-C4' energy: -172.487
flat angles P-C4'-P energy: -114.356
tors. eta vs tors. theta energy: -235.337
Dist. restrs. and SS energy: 3.269 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -2502.212065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2502.212065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2507.979764 (E_RNA)
where:
Base-Base interactions energy: -1736.840
where: short stacking energy: -751.835
Base-Backbone interact. energy: -2.119
local terms energy: -769.021196
where:
bonds (distance) C4'-P energy: -137.972
bonds (distance) P-C4' energy: -139.230
flat angles C4'-P-C4' energy: -159.476
flat angles P-C4'-P energy: -104.755
tors. eta vs tors. theta energy: -227.589
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: 5, replica: 10
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -2434.841000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2434.841000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2441.943669 (E_RNA)
where:
Base-Base interactions energy: -1725.059
where: short stacking energy: -725.870
Base-Backbone interact. energy: -0.962
local terms energy: -715.922117
where:
bonds (distance) C4'-P energy: -113.537
bonds (distance) P-C4' energy: -112.533
flat angles C4'-P-C4' energy: -155.917
flat angles P-C4'-P energy: -115.781
tors. eta vs tors. theta energy: -218.155
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: 6, replica: 7
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -2366.660780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2366.660780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2374.154024 (E_RNA)
where:
Base-Base interactions energy: -1614.542
where: short stacking energy: -702.560
Base-Backbone interact. energy: -0.988
local terms energy: -758.624548
where:
bonds (distance) C4'-P energy: -133.123
bonds (distance) P-C4' energy: -141.771
flat angles C4'-P-C4' energy: -159.291
flat angles P-C4'-P energy: -107.717
tors. eta vs tors. theta energy: -216.722
Dist. restrs. and SS energy: 7.493 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -2301.773591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2301.773591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2304.622352 (E_RNA)
where:
Base-Base interactions energy: -1619.060
where: short stacking energy: -663.752
Base-Backbone interact. energy: -0.116
local terms energy: -685.446651
where:
bonds (distance) C4'-P energy: -115.458
bonds (distance) P-C4' energy: -124.829
flat angles C4'-P-C4' energy: -145.114
flat angles P-C4'-P energy: -100.866
tors. eta vs tors. theta energy: -199.181
Dist. restrs. and SS energy: 2.849 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -2240.091836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2240.091836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2251.193127 (E_RNA)
where:
Base-Base interactions energy: -1574.181
where: short stacking energy: -657.055
Base-Backbone interact. energy: -4.347
local terms energy: -672.665081
where:
bonds (distance) C4'-P energy: -130.807
bonds (distance) P-C4' energy: -120.036
flat angles C4'-P-C4' energy: -150.188
flat angles P-C4'-P energy: -76.052
tors. eta vs tors. theta energy: -195.583
Dist. restrs. and SS energy: 11.101 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -2043.460650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2043.460650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2058.355720 (E_RNA)
where:
Base-Base interactions energy: -1430.518
where: short stacking energy: -623.673
Base-Backbone interact. energy: -5.509
local terms energy: -622.328997
where:
bonds (distance) C4'-P energy: -116.062
bonds (distance) P-C4' energy: -111.999
flat angles C4'-P-C4' energy: -128.066
flat angles P-C4'-P energy: -91.478
tors. eta vs tors. theta energy: -174.724
Dist. restrs. and SS energy: 14.895 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -1920.568962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1920.568962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.617052 (E_RNA)
where:
Base-Base interactions energy: -1401.405
where: short stacking energy: -571.567
Base-Backbone interact. energy: -1.137
local terms energy: -544.075212
where:
bonds (distance) C4'-P energy: -94.385
bonds (distance) P-C4' energy: -110.207
flat angles C4'-P-C4' energy: -122.776
flat angles P-C4'-P energy: -66.751
tors. eta vs tors. theta energy: -149.956
Dist. restrs. and SS energy: 26.048 (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: 2
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -2811.653148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2811.653148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2813.713046 (E_RNA)
where:
Base-Base interactions energy: -1971.287
where: short stacking energy: -854.597
Base-Backbone interact. energy: -2.308
local terms energy: -840.118557
where:
bonds (distance) C4'-P energy: -140.051
bonds (distance) P-C4' energy: -138.706
flat angles C4'-P-C4' energy: -176.727
flat angles P-C4'-P energy: -120.597
tors. eta vs tors. theta energy: -264.038
Dist. restrs. and SS energy: 2.060 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -2673.686348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2673.686348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2677.889139 (E_RNA)
where:
Base-Base interactions energy: -1854.465
where: short stacking energy: -815.996
Base-Backbone interact. energy: -3.134
local terms energy: -820.289869
where:
bonds (distance) C4'-P energy: -144.057
bonds (distance) P-C4' energy: -153.932
flat angles C4'-P-C4' energy: -156.530
flat angles P-C4'-P energy: -119.909
tors. eta vs tors. theta energy: -245.861
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: 3, replica: 5
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -2667.136519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2667.136519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2672.037920 (E_RNA)
where:
Base-Base interactions energy: -1887.665
where: short stacking energy: -782.062
Base-Backbone interact. energy: -2.410
local terms energy: -781.963525
where:
bonds (distance) C4'-P energy: -130.322
bonds (distance) P-C4' energy: -143.339
flat angles C4'-P-C4' energy: -156.653
flat angles P-C4'-P energy: -119.062
tors. eta vs tors. theta energy: -232.587
Dist. restrs. and SS energy: 4.901 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -2483.643659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2483.643659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2498.884842 (E_RNA)
where:
Base-Base interactions energy: -1755.458
where: short stacking energy: -722.863
Base-Backbone interact. energy: -0.399
local terms energy: -743.027779
where:
bonds (distance) C4'-P energy: -133.679
bonds (distance) P-C4' energy: -139.718
flat angles C4'-P-C4' energy: -156.776
flat angles P-C4'-P energy: -106.328
tors. eta vs tors. theta energy: -206.526
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: 5, replica: 10
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -2459.498611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2459.498611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2465.000812 (E_RNA)
where:
Base-Base interactions energy: -1724.483
where: short stacking energy: -711.560
Base-Backbone interact. energy: -3.331
local terms energy: -737.186133
where:
bonds (distance) C4'-P energy: -117.355
bonds (distance) P-C4' energy: -139.374
flat angles C4'-P-C4' energy: -159.929
flat angles P-C4'-P energy: -92.344
tors. eta vs tors. theta energy: -228.185
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: 6, replica: 7
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -2356.803268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2356.803268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2365.361653 (E_RNA)
where:
Base-Base interactions energy: -1663.273
where: short stacking energy: -706.823
Base-Backbone interact. energy: -5.373
local terms energy: -696.715941
where:
bonds (distance) C4'-P energy: -114.533
bonds (distance) P-C4' energy: -102.500
flat angles C4'-P-C4' energy: -159.405
flat angles P-C4'-P energy: -104.858
tors. eta vs tors. theta energy: -215.419
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: 7, replica: 1
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -2284.943442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2284.943442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2288.322364 (E_RNA)
where:
Base-Base interactions energy: -1594.167
where: short stacking energy: -663.671
Base-Backbone interact. energy: -1.925
local terms energy: -692.230676
where:
bonds (distance) C4'-P energy: -143.068
bonds (distance) P-C4' energy: -135.275
flat angles C4'-P-C4' energy: -144.548
flat angles P-C4'-P energy: -75.151
tors. eta vs tors. theta energy: -194.188
Dist. restrs. and SS energy: 3.379 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -2229.738072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2229.738072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2239.693654 (E_RNA)
where:
Base-Base interactions energy: -1574.806
where: short stacking energy: -657.777
Base-Backbone interact. energy: -0.326
local terms energy: -664.562055
where:
bonds (distance) C4'-P energy: -107.455
bonds (distance) P-C4' energy: -113.898
flat angles C4'-P-C4' energy: -143.949
flat angles P-C4'-P energy: -91.711
tors. eta vs tors. theta energy: -207.549
Dist. restrs. and SS energy: 9.956 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -2014.978440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2014.978440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2041.481865 (E_RNA)
where:
Base-Base interactions energy: -1409.150
where: short stacking energy: -576.099
Base-Backbone interact. energy: 1.397
local terms energy: -633.729096
where:
bonds (distance) C4'-P energy: -133.946
bonds (distance) P-C4' energy: -127.502
flat angles C4'-P-C4' energy: -143.361
flat angles P-C4'-P energy: -68.332
tors. eta vs tors. theta energy: -160.588
Dist. restrs. and SS energy: 26.503 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -1989.764883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1989.764883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2008.891243 (E_RNA)
where:
Base-Base interactions energy: -1421.897
where: short stacking energy: -569.080
Base-Backbone interact. energy: -1.400
local terms energy: -585.594180
where:
bonds (distance) C4'-P energy: -114.381
bonds (distance) P-C4' energy: -105.342
flat angles C4'-P-C4' energy: -122.261
flat angles P-C4'-P energy: -73.380
tors. eta vs tors. theta energy: -170.231
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: 1, replica: 2
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -2786.404264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2786.404264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2790.360954 (E_RNA)
where:
Base-Base interactions energy: -1957.804
where: short stacking energy: -852.813
Base-Backbone interact. energy: -4.644
local terms energy: -827.913091
where:
bonds (distance) C4'-P energy: -132.444
bonds (distance) P-C4' energy: -153.026
flat angles C4'-P-C4' energy: -166.375
flat angles P-C4'-P energy: -125.534
tors. eta vs tors. theta energy: -250.535
Dist. restrs. and SS energy: 3.957 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -2647.258292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2647.258292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2651.344743 (E_RNA)
where:
Base-Base interactions energy: -1846.640
where: short stacking energy: -782.792
Base-Backbone interact. energy: -0.110
local terms energy: -804.594771
where:
bonds (distance) C4'-P energy: -134.142
bonds (distance) P-C4' energy: -147.663
flat angles C4'-P-C4' energy: -167.693
flat angles P-C4'-P energy: -119.503
tors. eta vs tors. theta energy: -235.595
Dist. restrs. and SS energy: 4.086 (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: 422
Temperature: 1.000000
Total energy: -2636.384143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2636.384143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2640.737527 (E_RNA)
where:
Base-Base interactions energy: -1873.273
where: short stacking energy: -795.401
Base-Backbone interact. energy: -0.099
local terms energy: -767.364903
where:
bonds (distance) C4'-P energy: -128.263
bonds (distance) P-C4' energy: -131.114
flat angles C4'-P-C4' energy: -162.863
flat angles P-C4'-P energy: -123.630
tors. eta vs tors. theta energy: -221.494
Dist. restrs. and SS energy: 4.353 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -2495.523419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2495.523419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2502.837569 (E_RNA)
where:
Base-Base interactions energy: -1730.594
where: short stacking energy: -728.829
Base-Backbone interact. energy: -3.247
local terms energy: -768.996123
where:
bonds (distance) C4'-P energy: -137.332
bonds (distance) P-C4' energy: -135.737
flat angles C4'-P-C4' energy: -176.590
flat angles P-C4'-P energy: -104.250
tors. eta vs tors. theta energy: -215.088
Dist. restrs. and SS energy: 7.314 (S_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: 422
Temperature: 1.100000
Total energy: -2433.971167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2433.971167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2439.412807 (E_RNA)
where:
Base-Base interactions energy: -1700.613
where: short stacking energy: -723.906
Base-Backbone interact. energy: -2.702
local terms energy: -736.097832
where:
bonds (distance) C4'-P energy: -138.470
bonds (distance) P-C4' energy: -129.663
flat angles C4'-P-C4' energy: -148.171
flat angles P-C4'-P energy: -104.880
tors. eta vs tors. theta energy: -214.914
Dist. restrs. and SS energy: 5.442 (S_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: -2389.361411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2389.361411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2397.663659 (E_RNA)
where:
Base-Base interactions energy: -1690.926
where: short stacking energy: -737.669
Base-Backbone interact. energy: 1.096
local terms energy: -707.833027
where:
bonds (distance) C4'-P energy: -118.187
bonds (distance) P-C4' energy: -121.343
flat angles C4'-P-C4' energy: -155.025
flat angles P-C4'-P energy: -100.232
tors. eta vs tors. theta energy: -213.047
Dist. restrs. and SS energy: 8.302 (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: 1
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -2305.937485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2305.937485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2310.936295 (E_RNA)
where:
Base-Base interactions energy: -1614.611
where: short stacking energy: -667.243
Base-Backbone interact. energy: -0.761
local terms energy: -695.564208
where:
bonds (distance) C4'-P energy: -110.952
bonds (distance) P-C4' energy: -133.333
flat angles C4'-P-C4' energy: -157.603
flat angles P-C4'-P energy: -83.779
tors. eta vs tors. theta energy: -209.897
Dist. restrs. and SS energy: 4.999 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -2187.175042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2187.175042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2195.903170 (E_RNA)
where:
Base-Base interactions energy: -1541.646
where: short stacking energy: -628.900
Base-Backbone interact. energy: -2.649
local terms energy: -651.607757
where:
bonds (distance) C4'-P energy: -97.938
bonds (distance) P-C4' energy: -119.642
flat angles C4'-P-C4' energy: -149.117
flat angles P-C4'-P energy: -86.133
tors. eta vs tors. theta energy: -198.778
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: 9, replica: 4
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -2082.506954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2082.506954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2100.769893 (E_RNA)
where:
Base-Base interactions energy: -1473.790
where: short stacking energy: -621.765
Base-Backbone interact. energy: 6.568
local terms energy: -633.548369
where:
bonds (distance) C4'-P energy: -106.899
bonds (distance) P-C4' energy: -121.599
flat angles C4'-P-C4' energy: -151.186
flat angles P-C4'-P energy: -79.994
tors. eta vs tors. theta energy: -173.870
Dist. restrs. and SS energy: 18.263 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -1925.604287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.604287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1950.442503 (E_RNA)
where:
Base-Base interactions energy: -1359.419
where: short stacking energy: -576.701
Base-Backbone interact. energy: -3.308
local terms energy: -587.715428
where:
bonds (distance) C4'-P energy: -118.964
bonds (distance) P-C4' energy: -92.291
flat angles C4'-P-C4' energy: -135.142
flat angles P-C4'-P energy: -83.115
tors. eta vs tors. theta energy: -158.204
Dist. restrs. and SS energy: 24.838 (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: 2
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -2803.935479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2803.935479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2805.163710 (E_RNA)
where:
Base-Base interactions energy: -1943.429
where: short stacking energy: -850.389
Base-Backbone interact. energy: -2.042
local terms energy: -859.692001
where:
bonds (distance) C4'-P energy: -161.479
bonds (distance) P-C4' energy: -144.977
flat angles C4'-P-C4' energy: -160.642
flat angles P-C4'-P energy: -128.729
tors. eta vs tors. theta energy: -263.864
Dist. restrs. and SS energy: 1.228 (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: 8
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -2671.546332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2671.546332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2674.908925 (E_RNA)
where:
Base-Base interactions energy: -1849.718
where: short stacking energy: -779.487
Base-Backbone interact. energy: -0.989
local terms energy: -824.202003
where:
bonds (distance) C4'-P energy: -143.903
bonds (distance) P-C4' energy: -148.288
flat angles C4'-P-C4' energy: -177.063
flat angles P-C4'-P energy: -119.950
tors. eta vs tors. theta energy: -234.999
Dist. restrs. and SS energy: 3.363 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -2668.438411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2668.438411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2672.962751 (E_RNA)
where:
Base-Base interactions energy: -1868.061
where: short stacking energy: -761.794
Base-Backbone interact. energy: -3.781
local terms energy: -801.121019
where:
bonds (distance) C4'-P energy: -145.969
bonds (distance) P-C4' energy: -141.604
flat angles C4'-P-C4' energy: -174.457
flat angles P-C4'-P energy: -117.100
tors. eta vs tors. theta energy: -221.991
Dist. restrs. and SS energy: 4.524 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -2493.816715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2493.816715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2500.890321 (E_RNA)
where:
Base-Base interactions energy: -1744.500
where: short stacking energy: -728.788
Base-Backbone interact. energy: 2.366
local terms energy: -758.756240
where:
bonds (distance) C4'-P energy: -135.999
bonds (distance) P-C4' energy: -150.816
flat angles C4'-P-C4' energy: -160.596
flat angles P-C4'-P energy: -106.622
tors. eta vs tors. theta energy: -204.725
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: 5, replica: 7
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -2460.672447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2460.672447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2469.757618 (E_RNA)
where:
Base-Base interactions energy: -1737.004
where: short stacking energy: -755.566
Base-Backbone interact. energy: -0.586
local terms energy: -732.166880
where:
bonds (distance) C4'-P energy: -127.065
bonds (distance) P-C4' energy: -115.132
flat angles C4'-P-C4' energy: -167.900
flat angles P-C4'-P energy: -91.366
tors. eta vs tors. theta energy: -230.704
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: 6, replica: 10
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -2401.996472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2401.996472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2406.395901 (E_RNA)
where:
Base-Base interactions energy: -1708.881
where: short stacking energy: -705.238
Base-Backbone interact. energy: -3.238
local terms energy: -694.276322
where:
bonds (distance) C4'-P energy: -99.516
bonds (distance) P-C4' energy: -126.945
flat angles C4'-P-C4' energy: -146.174
flat angles P-C4'-P energy: -101.289
tors. eta vs tors. theta energy: -220.351
Dist. restrs. and SS energy: 4.399 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -2280.827106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2280.827106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2286.196200 (E_RNA)
where:
Base-Base interactions energy: -1614.827
where: short stacking energy: -670.609
Base-Backbone interact. energy: 2.648
local terms energy: -674.017851
where:
bonds (distance) C4'-P energy: -123.722
bonds (distance) P-C4' energy: -117.673
flat angles C4'-P-C4' energy: -148.146
flat angles P-C4'-P energy: -77.660
tors. eta vs tors. theta energy: -206.817
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: 8, replica: 3
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -2199.105325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2199.105325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2204.984366 (E_RNA)
where:
Base-Base interactions energy: -1560.760
where: short stacking energy: -667.385
Base-Backbone interact. energy: -1.404
local terms energy: -642.820796
where:
bonds (distance) C4'-P energy: -106.889
bonds (distance) P-C4' energy: -114.950
flat angles C4'-P-C4' energy: -149.610
flat angles P-C4'-P energy: -85.422
tors. eta vs tors. theta energy: -185.951
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: 9, replica: 4
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -2060.552321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2060.552321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2074.851577 (E_RNA)
where:
Base-Base interactions energy: -1476.376
where: short stacking energy: -602.142
Base-Backbone interact. energy: -4.562
local terms energy: -593.914024
where:
bonds (distance) C4'-P energy: -102.028
bonds (distance) P-C4' energy: -92.757
flat angles C4'-P-C4' energy: -150.136
flat angles P-C4'-P energy: -90.144
tors. eta vs tors. theta energy: -158.848
Dist. restrs. and SS energy: 14.299 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -1917.081854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.081854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1930.530049 (E_RNA)
where:
Base-Base interactions energy: -1375.797
where: short stacking energy: -560.203
Base-Backbone interact. energy: -4.165
local terms energy: -550.568118
where:
bonds (distance) C4'-P energy: -104.077
bonds (distance) P-C4' energy: -111.901
flat angles C4'-P-C4' energy: -121.085
flat angles P-C4'-P energy: -67.969
tors. eta vs tors. theta energy: -145.536
Dist. restrs. and SS energy: 13.448 (S_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: 424
Temperature: 0.900000
Total energy: -2802.411608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2802.411608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2804.809042 (E_RNA)
where:
Base-Base interactions energy: -1966.962
where: short stacking energy: -829.648
Base-Backbone interact. energy: -0.280
local terms energy: -837.567112
where:
bonds (distance) C4'-P energy: -133.372
bonds (distance) P-C4' energy: -155.190
flat angles C4'-P-C4' energy: -183.020
flat angles P-C4'-P energy: -115.798
tors. eta vs tors. theta energy: -250.186
Dist. restrs. and SS energy: 2.397 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -2666.493621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2666.493621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2669.053476 (E_RNA)
where:
Base-Base interactions energy: -1857.373
where: short stacking energy: -797.274
Base-Backbone interact. energy: -3.794
local terms energy: -807.886546
where:
bonds (distance) C4'-P energy: -142.858
bonds (distance) P-C4' energy: -156.033
flat angles C4'-P-C4' energy: -173.635
flat angles P-C4'-P energy: -101.823
tors. eta vs tors. theta energy: -233.538
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: 5
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -2652.797433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2652.797433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2656.667015 (E_RNA)
where:
Base-Base interactions energy: -1870.350
where: short stacking energy: -787.873
Base-Backbone interact. energy: -5.095
local terms energy: -781.222021
where:
bonds (distance) C4'-P energy: -145.520
bonds (distance) P-C4' energy: -146.511
flat angles C4'-P-C4' energy: -150.579
flat angles P-C4'-P energy: -109.569
tors. eta vs tors. theta energy: -229.043
Dist. restrs. and SS energy: 3.870 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -2507.844826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2507.844826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2515.414354 (E_RNA)
where:
Base-Base interactions energy: -1784.304
where: short stacking energy: -754.738
Base-Backbone interact. energy: 0.581
local terms energy: -731.691659
where:
bonds (distance) C4'-P energy: -135.327
bonds (distance) P-C4' energy: -124.926
flat angles C4'-P-C4' energy: -148.690
flat angles P-C4'-P energy: -94.489
tors. eta vs tors. theta energy: -228.260
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: 5, replica: 7
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -2449.974115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2449.974115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2461.008490 (E_RNA)
where:
Base-Base interactions energy: -1706.051
where: short stacking energy: -751.092
Base-Backbone interact. energy: -0.069
local terms energy: -754.888725
where:
bonds (distance) C4'-P energy: -134.256
bonds (distance) P-C4' energy: -131.497
flat angles C4'-P-C4' energy: -161.615
flat angles P-C4'-P energy: -104.252
tors. eta vs tors. theta energy: -223.270
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: 10
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -2368.759594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2368.759594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2374.405373 (E_RNA)
where:
Base-Base interactions energy: -1687.134
where: short stacking energy: -702.831
Base-Backbone interact. energy: -1.333
local terms energy: -685.938521
where:
bonds (distance) C4'-P energy: -111.620
bonds (distance) P-C4' energy: -126.398
flat angles C4'-P-C4' energy: -144.827
flat angles P-C4'-P energy: -102.708
tors. eta vs tors. theta energy: -200.385
Dist. restrs. and SS energy: 5.646 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -2295.181282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2295.181282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2301.073459 (E_RNA)
where:
Base-Base interactions energy: -1608.749
where: short stacking energy: -675.573
Base-Backbone interact. energy: -2.177
local terms energy: -690.147610
where:
bonds (distance) C4'-P energy: -127.304
bonds (distance) P-C4' energy: -138.806
flat angles C4'-P-C4' energy: -140.251
flat angles P-C4'-P energy: -83.758
tors. eta vs tors. theta energy: -200.029
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: 8, replica: 3
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -2210.567238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2210.567238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2218.074976 (E_RNA)
where:
Base-Base interactions energy: -1556.891
where: short stacking energy: -646.216
Base-Backbone interact. energy: -0.283
local terms energy: -660.900809
where:
bonds (distance) C4'-P energy: -105.174
bonds (distance) P-C4' energy: -125.135
flat angles C4'-P-C4' energy: -150.893
flat angles P-C4'-P energy: -88.116
tors. eta vs tors. theta energy: -191.582
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: 9, replica: 4
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -2078.401423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2078.401423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.248383 (E_RNA)
where:
Base-Base interactions energy: -1460.684
where: short stacking energy: -605.645
Base-Backbone interact. energy: -2.360
local terms energy: -625.205088
where:
bonds (distance) C4'-P energy: -99.385
bonds (distance) P-C4' energy: -125.145
flat angles C4'-P-C4' energy: -128.001
flat angles P-C4'-P energy: -87.041
tors. eta vs tors. theta energy: -185.633
Dist. restrs. and SS energy: 9.847 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -1964.543251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.543251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1979.870794 (E_RNA)
where:
Base-Base interactions energy: -1377.647
where: short stacking energy: -588.304
Base-Backbone interact. energy: 2.564
local terms energy: -604.787348
where:
bonds (distance) C4'-P energy: -121.371
bonds (distance) P-C4' energy: -118.940
flat angles C4'-P-C4' energy: -118.582
flat angles P-C4'-P energy: -90.555
tors. eta vs tors. theta energy: -155.339
Dist. restrs. and SS energy: 15.328 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -2796.766487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2796.766487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2799.322972 (E_RNA)
where:
Base-Base interactions energy: -1966.166
where: short stacking energy: -847.319
Base-Backbone interact. energy: -2.407
local terms energy: -830.749551
where:
bonds (distance) C4'-P energy: -138.076
bonds (distance) P-C4' energy: -150.397
flat angles C4'-P-C4' energy: -171.774
flat angles P-C4'-P energy: -121.462
tors. eta vs tors. theta energy: -249.041
Dist. restrs. and SS energy: 2.556 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -2687.221448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2687.221448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2691.524777 (E_RNA)
where:
Base-Base interactions energy: -1887.295
where: short stacking energy: -795.821
Base-Backbone interact. energy: -4.102
local terms energy: -800.127407
where:
bonds (distance) C4'-P energy: -137.604
bonds (distance) P-C4' energy: -130.416
flat angles C4'-P-C4' energy: -176.180
flat angles P-C4'-P energy: -109.622
tors. eta vs tors. theta energy: -246.306
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: 3, replica: 8
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -2589.857415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2589.857415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2593.234070 (E_RNA)
where:
Base-Base interactions energy: -1815.289
where: short stacking energy: -781.795
Base-Backbone interact. energy: -4.301
local terms energy: -773.644532
where:
bonds (distance) C4'-P energy: -143.068
bonds (distance) P-C4' energy: -146.034
flat angles C4'-P-C4' energy: -159.137
flat angles P-C4'-P energy: -94.804
tors. eta vs tors. theta energy: -230.601
Dist. restrs. and SS energy: 3.377 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -2502.592263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2502.592263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2510.841501 (E_RNA)
where:
Base-Base interactions energy: -1746.543
where: short stacking energy: -756.147
Base-Backbone interact. energy: -0.388
local terms energy: -763.910309
where:
bonds (distance) C4'-P energy: -145.543
bonds (distance) P-C4' energy: -133.640
flat angles C4'-P-C4' energy: -159.673
flat angles P-C4'-P energy: -93.204
tors. eta vs tors. theta energy: -231.851
Dist. restrs. and SS energy: 8.249 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -2429.463187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2429.463187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2440.794230 (E_RNA)
where:
Base-Base interactions energy: -1724.190
where: short stacking energy: -743.470
Base-Backbone interact. energy: -4.229
local terms energy: -712.374914
where:
bonds (distance) C4'-P energy: -110.941
bonds (distance) P-C4' energy: -124.976
flat angles C4'-P-C4' energy: -158.911
flat angles P-C4'-P energy: -100.312
tors. eta vs tors. theta energy: -217.235
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: 6, replica: 10
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -2376.382165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2376.382165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2381.363566 (E_RNA)
where:
Base-Base interactions energy: -1707.046
where: short stacking energy: -699.034
Base-Backbone interact. energy: -2.470
local terms energy: -671.847111
where:
bonds (distance) C4'-P energy: -123.642
bonds (distance) P-C4' energy: -117.998
flat angles C4'-P-C4' energy: -137.818
flat angles P-C4'-P energy: -96.587
tors. eta vs tors. theta energy: -195.802
Dist. restrs. and SS energy: 4.981 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -2275.377392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2275.377392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2278.200481 (E_RNA)
where:
Base-Base interactions energy: -1619.643
where: short stacking energy: -663.246
Base-Backbone interact. energy: -2.275
local terms energy: -656.282666
where:
bonds (distance) C4'-P energy: -110.594
bonds (distance) P-C4' energy: -111.181
flat angles C4'-P-C4' energy: -152.198
flat angles P-C4'-P energy: -91.781
tors. eta vs tors. theta energy: -190.528
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: 8, replica: 3
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -2220.433956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2220.433956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2227.391878 (E_RNA)
where:
Base-Base interactions energy: -1591.069
where: short stacking energy: -659.604
Base-Backbone interact. energy: -1.968
local terms energy: -634.354945
where:
bonds (distance) C4'-P energy: -109.732
bonds (distance) P-C4' energy: -115.306
flat angles C4'-P-C4' energy: -122.160
flat angles P-C4'-P energy: -86.667
tors. eta vs tors. theta energy: -200.491
Dist. restrs. and SS energy: 6.958 (S_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: 425
Temperature: 1.300000
Total energy: -2096.233730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2096.233730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.657515 (E_RNA)
where:
Base-Base interactions energy: -1491.279
where: short stacking energy: -644.982
Base-Backbone interact. energy: 3.949
local terms energy: -619.327205
where:
bonds (distance) C4'-P energy: -110.495
bonds (distance) P-C4' energy: -113.053
flat angles C4'-P-C4' energy: -137.149
flat angles P-C4'-P energy: -75.889
tors. eta vs tors. theta energy: -182.742
Dist. restrs. and SS energy: 10.424 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -1932.928173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.928173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1956.868667 (E_RNA)
where:
Base-Base interactions energy: -1372.283
where: short stacking energy: -582.413
Base-Backbone interact. energy: -1.551
local terms energy: -583.035290
where:
bonds (distance) C4'-P energy: -106.387
bonds (distance) P-C4' energy: -120.101
flat angles C4'-P-C4' energy: -120.990
flat angles P-C4'-P energy: -92.131
tors. eta vs tors. theta energy: -143.426
Dist. restrs. and SS energy: 23.940 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -2794.007233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2794.007233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2796.603467 (E_RNA)
where:
Base-Base interactions energy: -1970.219
where: short stacking energy: -841.716
Base-Backbone interact. energy: -0.809
local terms energy: -825.575355
where:
bonds (distance) C4'-P energy: -137.936
bonds (distance) P-C4' energy: -141.660
flat angles C4'-P-C4' energy: -177.529
flat angles P-C4'-P energy: -118.020
tors. eta vs tors. theta energy: -250.430
Dist. restrs. and SS energy: 2.596 (S_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: 426
Temperature: 0.950000
Total energy: -2685.264286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2685.264286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2688.817064 (E_RNA)
where:
Base-Base interactions energy: -1887.813
where: short stacking energy: -777.734
Base-Backbone interact. energy: -1.790
local terms energy: -799.213865
where:
bonds (distance) C4'-P energy: -147.868
bonds (distance) P-C4' energy: -138.005
flat angles C4'-P-C4' energy: -167.743
flat angles P-C4'-P energy: -109.602
tors. eta vs tors. theta energy: -235.996
Dist. restrs. and SS energy: 3.553 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -2570.858983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2570.858983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2574.672977 (E_RNA)
where:
Base-Base interactions energy: -1808.115
where: short stacking energy: -766.104
Base-Backbone interact. energy: -0.745
local terms energy: -765.813167
where:
bonds (distance) C4'-P energy: -137.616
bonds (distance) P-C4' energy: -134.112
flat angles C4'-P-C4' energy: -167.581
flat angles P-C4'-P energy: -100.346
tors. eta vs tors. theta energy: -226.159
Dist. restrs. and SS energy: 3.814 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -2469.497565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2469.497565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2477.105293 (E_RNA)
where:
Base-Base interactions energy: -1716.718
where: short stacking energy: -761.759
Base-Backbone interact. energy: -3.063
local terms energy: -757.324110
where:
bonds (distance) C4'-P energy: -138.108
bonds (distance) P-C4' energy: -134.958
flat angles C4'-P-C4' energy: -163.088
flat angles P-C4'-P energy: -96.437
tors. eta vs tors. theta energy: -224.733
Dist. restrs. and SS energy: 7.608 (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: 7
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -2434.832009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2434.832009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2441.900238 (E_RNA)
where:
Base-Base interactions energy: -1733.160
where: short stacking energy: -717.661
Base-Backbone interact. energy: 0.261
local terms energy: -709.001371
where:
bonds (distance) C4'-P energy: -135.484
bonds (distance) P-C4' energy: -133.955
flat angles C4'-P-C4' energy: -160.062
flat angles P-C4'-P energy: -80.853
tors. eta vs tors. theta energy: -198.647
Dist. restrs. and SS energy: 7.068 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -2380.896500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2380.896500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2391.018444 (E_RNA)
where:
Base-Base interactions energy: -1674.646
where: short stacking energy: -692.142
Base-Backbone interact. energy: -2.922
local terms energy: -713.450401
where:
bonds (distance) C4'-P energy: -122.037
bonds (distance) P-C4' energy: -124.016
flat angles C4'-P-C4' energy: -160.176
flat angles P-C4'-P energy: -103.912
tors. eta vs tors. theta energy: -203.309
Dist. restrs. and SS energy: 10.122 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -2284.139583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2284.139583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2291.039739 (E_RNA)
where:
Base-Base interactions energy: -1634.203
where: short stacking energy: -675.582
Base-Backbone interact. energy: 0.686
local terms energy: -657.522739
where:
bonds (distance) C4'-P energy: -128.401
bonds (distance) P-C4' energy: -106.274
flat angles C4'-P-C4' energy: -128.029
flat angles P-C4'-P energy: -93.808
tors. eta vs tors. theta energy: -201.010
Dist. restrs. and SS energy: 6.900 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -2277.196747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2277.196747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2287.417501 (E_RNA)
where:
Base-Base interactions energy: -1644.007
where: short stacking energy: -674.288
Base-Backbone interact. energy: -0.908
local terms energy: -642.503165
where:
bonds (distance) C4'-P energy: -107.180
bonds (distance) P-C4' energy: -99.888
flat angles C4'-P-C4' energy: -139.574
flat angles P-C4'-P energy: -95.871
tors. eta vs tors. theta energy: -199.990
Dist. restrs. and SS energy: 10.221 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -2087.155138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2087.155138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2104.296163 (E_RNA)
where:
Base-Base interactions energy: -1450.872
where: short stacking energy: -622.538
Base-Backbone interact. energy: 0.003
local terms energy: -653.427022
where:
bonds (distance) C4'-P energy: -107.061
bonds (distance) P-C4' energy: -137.643
flat angles C4'-P-C4' energy: -137.440
flat angles P-C4'-P energy: -79.823
tors. eta vs tors. theta energy: -191.460
Dist. restrs. and SS energy: 17.141 (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: 6
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -1891.757300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1891.757300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.552090 (E_RNA)
where:
Base-Base interactions energy: -1340.191
where: short stacking energy: -557.390
Base-Backbone interact. energy: -1.041
local terms energy: -575.319761
where:
bonds (distance) C4'-P energy: -109.183
bonds (distance) P-C4' energy: -114.239
flat angles C4'-P-C4' energy: -133.491
flat angles P-C4'-P energy: -64.169
tors. eta vs tors. theta energy: -154.238
Dist. restrs. and SS energy: 24.795 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -2793.433134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2793.433134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2796.700048 (E_RNA)
where:
Base-Base interactions energy: -1963.087
where: short stacking energy: -825.727
Base-Backbone interact. energy: -3.325
local terms energy: -830.288335
where:
bonds (distance) C4'-P energy: -150.543
bonds (distance) P-C4' energy: -138.033
flat angles C4'-P-C4' energy: -169.885
flat angles P-C4'-P energy: -125.021
tors. eta vs tors. theta energy: -246.806
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: 2, replica: 5
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -2684.835403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2684.835403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2688.318993 (E_RNA)
where:
Base-Base interactions energy: -1882.289
where: short stacking energy: -788.585
Base-Backbone interact. energy: -1.872
local terms energy: -804.158579
where:
bonds (distance) C4'-P energy: -139.631
bonds (distance) P-C4' energy: -143.548
flat angles C4'-P-C4' energy: -161.096
flat angles P-C4'-P energy: -111.981
tors. eta vs tors. theta energy: -247.902
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: 3, replica: 8
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -2592.151006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2592.151006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2596.361901 (E_RNA)
where:
Base-Base interactions energy: -1808.909
where: short stacking energy: -790.338
Base-Backbone interact. energy: -1.661
local terms energy: -785.791614
where:
bonds (distance) C4'-P energy: -125.912
bonds (distance) P-C4' energy: -141.889
flat angles C4'-P-C4' energy: -174.729
flat angles P-C4'-P energy: -113.541
tors. eta vs tors. theta energy: -229.720
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: 4, replica: 9
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -2491.220404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2491.220404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2503.121188 (E_RNA)
where:
Base-Base interactions energy: -1738.050
where: short stacking energy: -711.200
Base-Backbone interact. energy: -1.807
local terms energy: -763.264043
where:
bonds (distance) C4'-P energy: -132.491
bonds (distance) P-C4' energy: -151.022
flat angles C4'-P-C4' energy: -158.598
flat angles P-C4'-P energy: -103.586
tors. eta vs tors. theta energy: -217.567
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: 5, replica: 7
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -2403.860159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2403.860159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2409.609959 (E_RNA)
where:
Base-Base interactions energy: -1659.348
where: short stacking energy: -676.296
Base-Backbone interact. energy: -5.190
local terms energy: -745.071072
where:
bonds (distance) C4'-P energy: -134.024
bonds (distance) P-C4' energy: -140.806
flat angles C4'-P-C4' energy: -160.327
flat angles P-C4'-P energy: -93.701
tors. eta vs tors. theta energy: -216.212
Dist. restrs. and SS energy: 5.750 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -2350.973695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2350.973695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2353.653239 (E_RNA)
where:
Base-Base interactions energy: -1662.102
where: short stacking energy: -673.128
Base-Backbone interact. energy: -2.392
local terms energy: -689.159045
where:
bonds (distance) C4'-P energy: -120.548
bonds (distance) P-C4' energy: -138.850
flat angles C4'-P-C4' energy: -145.014
flat angles P-C4'-P energy: -101.771
tors. eta vs tors. theta energy: -182.976
Dist. restrs. and SS energy: 2.680 (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: 10
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -2316.545467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2316.545467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2322.292039 (E_RNA)
where:
Base-Base interactions energy: -1656.075
where: short stacking energy: -711.767
Base-Backbone interact. energy: 3.280
local terms energy: -669.497071
where:
bonds (distance) C4'-P energy: -111.112
bonds (distance) P-C4' energy: -116.858
flat angles C4'-P-C4' energy: -145.559
flat angles P-C4'-P energy: -93.213
tors. eta vs tors. theta energy: -202.755
Dist. restrs. and SS energy: 5.747 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -2134.169063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2134.169063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2146.451581 (E_RNA)
where:
Base-Base interactions energy: -1494.178
where: short stacking energy: -623.647
Base-Backbone interact. energy: -3.299
local terms energy: -648.974450
where:
bonds (distance) C4'-P energy: -141.072
bonds (distance) P-C4' energy: -110.271
flat angles C4'-P-C4' energy: -131.265
flat angles P-C4'-P energy: -75.866
tors. eta vs tors. theta energy: -190.500
Dist. restrs. and SS energy: 12.283 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -2142.232108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2142.232108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2149.425209 (E_RNA)
where:
Base-Base interactions energy: -1501.659
where: short stacking energy: -626.065
Base-Backbone interact. energy: -0.801
local terms energy: -646.965601
where:
bonds (distance) C4'-P energy: -110.349
bonds (distance) P-C4' energy: -112.918
flat angles C4'-P-C4' energy: -154.945
flat angles P-C4'-P energy: -88.730
tors. eta vs tors. theta energy: -180.023
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: 10, replica: 6
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -1926.698000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.698000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1944.045995 (E_RNA)
where:
Base-Base interactions energy: -1370.497
where: short stacking energy: -549.466
Base-Backbone interact. energy: 1.537
local terms energy: -575.086365
where:
bonds (distance) C4'-P energy: -102.773
bonds (distance) P-C4' energy: -91.229
flat angles C4'-P-C4' energy: -119.756
flat angles P-C4'-P energy: -90.503
tors. eta vs tors. theta energy: -170.825
Dist. restrs. and SS energy: 17.348 (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: 2
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -2785.208649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2785.208649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2788.245088 (E_RNA)
where:
Base-Base interactions energy: -1958.602
where: short stacking energy: -821.444
Base-Backbone interact. energy: -0.743
local terms energy: -828.900461
where:
bonds (distance) C4'-P energy: -134.802
bonds (distance) P-C4' energy: -139.573
flat angles C4'-P-C4' energy: -188.669
flat angles P-C4'-P energy: -111.636
tors. eta vs tors. theta energy: -254.221
Dist. restrs. and SS energy: 3.036 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -2695.907857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2695.907857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2699.355778 (E_RNA)
where:
Base-Base interactions energy: -1909.914
where: short stacking energy: -797.796
Base-Backbone interact. energy: 7.712
local terms energy: -797.154110
where:
bonds (distance) C4'-P energy: -120.458
bonds (distance) P-C4' energy: -148.090
flat angles C4'-P-C4' energy: -175.603
flat angles P-C4'-P energy: -112.279
tors. eta vs tors. theta energy: -240.723
Dist. restrs. and SS energy: 3.448 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -2569.663252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2569.663252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2574.743271 (E_RNA)
where:
Base-Base interactions energy: -1770.620
where: short stacking energy: -762.537
Base-Backbone interact. energy: -4.842
local terms energy: -799.281619
where:
bonds (distance) C4'-P energy: -137.630
bonds (distance) P-C4' energy: -135.082
flat angles C4'-P-C4' energy: -169.742
flat angles P-C4'-P energy: -122.019
tors. eta vs tors. theta energy: -234.808
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: 4, replica: 9
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -2549.610828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2549.610828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2561.490314 (E_RNA)
where:
Base-Base interactions energy: -1783.150
where: short stacking energy: -754.440
Base-Backbone interact. energy: -2.654
local terms energy: -775.686041
where:
bonds (distance) C4'-P energy: -146.494
bonds (distance) P-C4' energy: -143.167
flat angles C4'-P-C4' energy: -161.655
flat angles P-C4'-P energy: -98.637
tors. eta vs tors. theta energy: -225.733
Dist. restrs. and SS energy: 11.879 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -2439.127842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2439.127842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2443.258995 (E_RNA)
where:
Base-Base interactions energy: -1715.620
where: short stacking energy: -738.770
Base-Backbone interact. energy: 4.147
local terms energy: -731.785717
where:
bonds (distance) C4'-P energy: -128.691
bonds (distance) P-C4' energy: -139.761
flat angles C4'-P-C4' energy: -148.936
flat angles P-C4'-P energy: -94.555
tors. eta vs tors. theta energy: -219.842
Dist. restrs. and SS energy: 4.131 (S_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: 428
Temperature: 1.150000
Total energy: -2364.524064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2364.524064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2368.035771 (E_RNA)
where:
Base-Base interactions energy: -1662.299
where: short stacking energy: -697.066
Base-Backbone interact. energy: 0.658
local terms energy: -706.393884
where:
bonds (distance) C4'-P energy: -125.618
bonds (distance) P-C4' energy: -121.700
flat angles C4'-P-C4' energy: -156.010
flat angles P-C4'-P energy: -96.397
tors. eta vs tors. theta energy: -206.669
Dist. restrs. and SS energy: 3.512 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -2355.019374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2355.019374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2362.549377 (E_RNA)
where:
Base-Base interactions energy: -1643.162
where: short stacking energy: -701.764
Base-Backbone interact. energy: -2.423
local terms energy: -716.964644
where:
bonds (distance) C4'-P energy: -122.899
bonds (distance) P-C4' energy: -128.741
flat angles C4'-P-C4' energy: -153.845
flat angles P-C4'-P energy: -98.649
tors. eta vs tors. theta energy: -212.830
Dist. restrs. and SS energy: 7.530 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -2141.001023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2141.001023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2153.179876 (E_RNA)
where:
Base-Base interactions energy: -1537.773
where: short stacking energy: -653.277
Base-Backbone interact. energy: -2.422
local terms energy: -612.985744
where:
bonds (distance) C4'-P energy: -107.430
bonds (distance) P-C4' energy: -111.114
flat angles C4'-P-C4' energy: -138.496
flat angles P-C4'-P energy: -77.247
tors. eta vs tors. theta energy: -178.699
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: 9, replica: 3
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -2173.173080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2173.173080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2183.132910 (E_RNA)
where:
Base-Base interactions energy: -1533.659
where: short stacking energy: -625.199
Base-Backbone interact. energy: 1.149
local terms energy: -650.622281
where:
bonds (distance) C4'-P energy: -93.663
bonds (distance) P-C4' energy: -129.701
flat angles C4'-P-C4' energy: -147.432
flat angles P-C4'-P energy: -90.354
tors. eta vs tors. theta energy: -189.474
Dist. restrs. and SS energy: 9.960 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -1921.680066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1921.680066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.479877 (E_RNA)
where:
Base-Base interactions energy: -1376.633
where: short stacking energy: -566.146
Base-Backbone interact. energy: -1.987
local terms energy: -564.859760
where:
bonds (distance) C4'-P energy: -104.052
bonds (distance) P-C4' energy: -95.896
flat angles C4'-P-C4' energy: -141.272
flat angles P-C4'-P energy: -65.855
tors. eta vs tors. theta energy: -157.786
Dist. restrs. and SS energy: 21.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -2774.986951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2774.986951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2778.173161 (E_RNA)
where:
Base-Base interactions energy: -1954.464
where: short stacking energy: -837.626
Base-Backbone interact. energy: -3.996
local terms energy: -819.713007
where:
bonds (distance) C4'-P energy: -135.840
bonds (distance) P-C4' energy: -147.286
flat angles C4'-P-C4' energy: -171.422
flat angles P-C4'-P energy: -123.334
tors. eta vs tors. theta energy: -241.831
Dist. restrs. and SS energy: 3.186 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -2666.793545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2666.793545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2670.343766 (E_RNA)
where:
Base-Base interactions energy: -1859.267
where: short stacking energy: -778.215
Base-Backbone interact. energy: -1.074
local terms energy: -810.002630
where:
bonds (distance) C4'-P energy: -137.250
bonds (distance) P-C4' energy: -143.576
flat angles C4'-P-C4' energy: -174.879
flat angles P-C4'-P energy: -112.551
tors. eta vs tors. theta energy: -241.747
Dist. restrs. and SS energy: 3.550 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -2590.172818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2590.172818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2594.772230 (E_RNA)
where:
Base-Base interactions energy: -1794.130
where: short stacking energy: -769.306
Base-Backbone interact. energy: -1.374
local terms energy: -799.268321
where:
bonds (distance) C4'-P energy: -152.909
bonds (distance) P-C4' energy: -130.614
flat angles C4'-P-C4' energy: -170.102
flat angles P-C4'-P energy: -116.950
tors. eta vs tors. theta energy: -228.694
Dist. restrs. and SS energy: 4.599 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -2482.043852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2482.043852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2491.739994 (E_RNA)
where:
Base-Base interactions energy: -1770.477
where: short stacking energy: -747.561
Base-Backbone interact. energy: -2.143
local terms energy: -719.120245
where:
bonds (distance) C4'-P energy: -119.392
bonds (distance) P-C4' energy: -128.590
flat angles C4'-P-C4' energy: -157.802
flat angles P-C4'-P energy: -85.897
tors. eta vs tors. theta energy: -227.439
Dist. restrs. and SS energy: 9.696 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -2460.789978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2460.789978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2465.164855 (E_RNA)
where:
Base-Base interactions energy: -1733.373
where: short stacking energy: -716.750
Base-Backbone interact. energy: -1.537
local terms energy: -730.254887
where:
bonds (distance) C4'-P energy: -130.779
bonds (distance) P-C4' energy: -139.747
flat angles C4'-P-C4' energy: -145.513
flat angles P-C4'-P energy: -106.088
tors. eta vs tors. theta energy: -208.127
Dist. restrs. and SS energy: 4.375 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -2386.268408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2386.268408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2397.115133 (E_RNA)
where:
Base-Base interactions energy: -1701.056
where: short stacking energy: -725.820
Base-Backbone interact. energy: 1.721
local terms energy: -697.779499
where:
bonds (distance) C4'-P energy: -134.164
bonds (distance) P-C4' energy: -105.999
flat angles C4'-P-C4' energy: -140.164
flat angles P-C4'-P energy: -105.476
tors. eta vs tors. theta energy: -211.977
Dist. restrs. and SS energy: 10.847 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -2317.494406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2317.494406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2322.821853 (E_RNA)
where:
Base-Base interactions energy: -1623.304
where: short stacking energy: -695.367
Base-Backbone interact. energy: 0.594
local terms energy: -700.110969
where:
bonds (distance) C4'-P energy: -131.952
bonds (distance) P-C4' energy: -111.281
flat angles C4'-P-C4' energy: -144.445
flat angles P-C4'-P energy: -91.873
tors. eta vs tors. theta energy: -220.561
Dist. restrs. and SS energy: 5.327 (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: 3
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -2208.825437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2208.825437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2217.530687 (E_RNA)
where:
Base-Base interactions energy: -1569.167
where: short stacking energy: -690.856
Base-Backbone interact. energy: -2.439
local terms energy: -645.924404
where:
bonds (distance) C4'-P energy: -112.483
bonds (distance) P-C4' energy: -124.493
flat angles C4'-P-C4' energy: -140.242
flat angles P-C4'-P energy: -72.696
tors. eta vs tors. theta energy: -196.010
Dist. restrs. and SS energy: 8.705 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -2081.351052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2081.351052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2099.639762 (E_RNA)
where:
Base-Base interactions energy: -1512.176
where: short stacking energy: -624.643
Base-Backbone interact. energy: -2.318
local terms energy: -585.145438
where:
bonds (distance) C4'-P energy: -100.572
bonds (distance) P-C4' energy: -79.360
flat angles C4'-P-C4' energy: -142.192
flat angles P-C4'-P energy: -89.778
tors. eta vs tors. theta energy: -173.243
Dist. restrs. and SS energy: 18.289 (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: 6
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -1887.159629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1887.159629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1899.646151 (E_RNA)
where:
Base-Base interactions energy: -1340.661
where: short stacking energy: -530.694
Base-Backbone interact. energy: 3.101
local terms energy: -562.085691
where:
bonds (distance) C4'-P energy: -107.409
bonds (distance) P-C4' energy: -88.295
flat angles C4'-P-C4' energy: -137.382
flat angles P-C4'-P energy: -87.948
tors. eta vs tors. theta energy: -141.052
Dist. restrs. and SS energy: 12.487 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -2815.259646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2815.259646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2818.400341 (E_RNA)
where:
Base-Base interactions energy: -1958.030
where: short stacking energy: -845.716
Base-Backbone interact. energy: -3.535
local terms energy: -856.835413
where:
bonds (distance) C4'-P energy: -153.145
bonds (distance) P-C4' energy: -158.191
flat angles C4'-P-C4' energy: -174.761
flat angles P-C4'-P energy: -109.613
tors. eta vs tors. theta energy: -261.127
Dist. restrs. and SS energy: 3.141 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -2680.879311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2680.879311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2685.366290 (E_RNA)
where:
Base-Base interactions energy: -1881.992
where: short stacking energy: -810.083
Base-Backbone interact. energy: -2.947
local terms energy: -800.426319
where:
bonds (distance) C4'-P energy: -128.847
bonds (distance) P-C4' energy: -139.638
flat angles C4'-P-C4' energy: -168.810
flat angles P-C4'-P energy: -120.045
tors. eta vs tors. theta energy: -243.087
Dist. restrs. and SS energy: 4.487 (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: 430
Temperature: 1.000000
Total energy: -2583.671071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2583.671071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2587.219985 (E_RNA)
where:
Base-Base interactions energy: -1802.098
where: short stacking energy: -767.999
Base-Backbone interact. energy: -3.795
local terms energy: -781.327668
where:
bonds (distance) C4'-P energy: -126.389
bonds (distance) P-C4' energy: -148.268
flat angles C4'-P-C4' energy: -167.174
flat angles P-C4'-P energy: -117.070
tors. eta vs tors. theta energy: -222.426
Dist. restrs. and SS energy: 3.549 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -2471.898217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2471.898217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2481.383420 (E_RNA)
where:
Base-Base interactions energy: -1735.001
where: short stacking energy: -721.138
Base-Backbone interact. energy: -0.168
local terms energy: -746.214505
where:
bonds (distance) C4'-P energy: -124.036
bonds (distance) P-C4' energy: -138.555
flat angles C4'-P-C4' energy: -150.286
flat angles P-C4'-P energy: -116.060
tors. eta vs tors. theta energy: -217.276
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: 5, replica: 1
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -2450.353484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2450.353484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2452.990383 (E_RNA)
where:
Base-Base interactions energy: -1743.693
where: short stacking energy: -728.720
Base-Backbone interact. energy: -3.662
local terms energy: -705.635156
where:
bonds (distance) C4'-P energy: -135.483
bonds (distance) P-C4' energy: -122.225
flat angles C4'-P-C4' energy: -143.396
flat angles P-C4'-P energy: -96.298
tors. eta vs tors. theta energy: -208.234
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: 6, replica: 10
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -2347.231530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2347.231530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2355.342290 (E_RNA)
where:
Base-Base interactions energy: -1651.087
where: short stacking energy: -679.651
Base-Backbone interact. energy: -1.534
local terms energy: -702.721150
where:
bonds (distance) C4'-P energy: -127.896
bonds (distance) P-C4' energy: -118.713
flat angles C4'-P-C4' energy: -150.710
flat angles P-C4'-P energy: -103.605
tors. eta vs tors. theta energy: -201.798
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: 7, replica: 7
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -2311.802955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2311.802955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2320.083686 (E_RNA)
where:
Base-Base interactions energy: -1607.771
where: short stacking energy: -672.731
Base-Backbone interact. energy: -1.494
local terms energy: -710.818844
where:
bonds (distance) C4'-P energy: -128.715
bonds (distance) P-C4' energy: -113.587
flat angles C4'-P-C4' energy: -152.146
flat angles P-C4'-P energy: -114.468
tors. eta vs tors. theta energy: -201.903
Dist. restrs. and SS energy: 8.281 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -2231.717340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2231.717340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2238.483865 (E_RNA)
where:
Base-Base interactions energy: -1570.720
where: short stacking energy: -685.029
Base-Backbone interact. energy: -2.292
local terms energy: -665.471977
where:
bonds (distance) C4'-P energy: -118.784
bonds (distance) P-C4' energy: -112.083
flat angles C4'-P-C4' energy: -133.217
flat angles P-C4'-P energy: -105.251
tors. eta vs tors. theta energy: -196.137
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: 9, replica: 4
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -2061.972997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2061.972997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2076.671224 (E_RNA)
where:
Base-Base interactions energy: -1454.899
where: short stacking energy: -597.478
Base-Backbone interact. energy: -4.031
local terms energy: -617.740549
where:
bonds (distance) C4'-P energy: -112.942
bonds (distance) P-C4' energy: -115.000
flat angles C4'-P-C4' energy: -127.529
flat angles P-C4'-P energy: -88.625
tors. eta vs tors. theta energy: -173.644
Dist. restrs. and SS energy: 14.698 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -1960.022258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.022258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1979.892906 (E_RNA)
where:
Base-Base interactions energy: -1390.231
where: short stacking energy: -604.403
Base-Backbone interact. energy: 1.382
local terms energy: -591.043816
where:
bonds (distance) C4'-P energy: -105.459
bonds (distance) P-C4' energy: -119.236
flat angles C4'-P-C4' energy: -138.749
flat angles P-C4'-P energy: -72.559
tors. eta vs tors. theta energy: -155.041
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: 1, replica: 2
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -2827.676764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2827.676764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2831.456503 (E_RNA)
where:
Base-Base interactions energy: -2003.946
where: short stacking energy: -849.440
Base-Backbone interact. energy: -1.251
local terms energy: -826.259439
where:
bonds (distance) C4'-P energy: -136.653
bonds (distance) P-C4' energy: -134.833
flat angles C4'-P-C4' energy: -173.799
flat angles P-C4'-P energy: -123.880
tors. eta vs tors. theta energy: -257.095
Dist. restrs. and SS energy: 3.780 (S_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: 431
Temperature: 0.950000
Total energy: -2664.611919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2664.611919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2667.581056 (E_RNA)
where:
Base-Base interactions energy: -1858.817
where: short stacking energy: -781.791
Base-Backbone interact. energy: -3.649
local terms energy: -805.115325
where:
bonds (distance) C4'-P energy: -142.224
bonds (distance) P-C4' energy: -149.155
flat angles C4'-P-C4' energy: -162.879
flat angles P-C4'-P energy: -116.551
tors. eta vs tors. theta energy: -234.307
Dist. restrs. and SS energy: 2.969 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -2567.553561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2567.553561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2570.874866 (E_RNA)
where:
Base-Base interactions energy: -1801.834
where: short stacking energy: -765.481
Base-Backbone interact. energy: -1.275
local terms energy: -767.765828
where:
bonds (distance) C4'-P energy: -133.276
bonds (distance) P-C4' energy: -139.709
flat angles C4'-P-C4' energy: -153.517
flat angles P-C4'-P energy: -115.114
tors. eta vs tors. theta energy: -226.149
Dist. restrs. and SS energy: 3.321 (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: 9
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -2511.605761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2511.605761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2523.343981 (E_RNA)
where:
Base-Base interactions energy: -1746.999
where: short stacking energy: -771.273
Base-Backbone interact. energy: -1.765
local terms energy: -774.580202
where:
bonds (distance) C4'-P energy: -128.062
bonds (distance) P-C4' energy: -145.689
flat angles C4'-P-C4' energy: -165.531
flat angles P-C4'-P energy: -111.300
tors. eta vs tors. theta energy: -223.998
Dist. restrs. and SS energy: 11.738 (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: 1
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -2420.196639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2420.196639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2423.347331 (E_RNA)
where:
Base-Base interactions energy: -1727.810
where: short stacking energy: -698.902
Base-Backbone interact. energy: -2.785
local terms energy: -692.752616
where:
bonds (distance) C4'-P energy: -118.563
bonds (distance) P-C4' energy: -123.843
flat angles C4'-P-C4' energy: -148.270
flat angles P-C4'-P energy: -102.443
tors. eta vs tors. theta energy: -199.634
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: 6, replica: 7
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -2335.699434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2335.699434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2342.054132 (E_RNA)
where:
Base-Base interactions energy: -1653.846
where: short stacking energy: -682.635
Base-Backbone interact. energy: -4.888
local terms energy: -683.319397
where:
bonds (distance) C4'-P energy: -123.136
bonds (distance) P-C4' energy: -121.288
flat angles C4'-P-C4' energy: -135.060
flat angles P-C4'-P energy: -104.648
tors. eta vs tors. theta energy: -199.188
Dist. restrs. and SS energy: 6.355 (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: 431
Temperature: 1.200000
Total energy: -2288.664847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2288.664847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2297.741800 (E_RNA)
where:
Base-Base interactions energy: -1623.859
where: short stacking energy: -688.121
Base-Backbone interact. energy: 1.881
local terms energy: -675.763423
where:
bonds (distance) C4'-P energy: -121.651
bonds (distance) P-C4' energy: -118.196
flat angles C4'-P-C4' energy: -145.417
flat angles P-C4'-P energy: -84.102
tors. eta vs tors. theta energy: -206.397
Dist. restrs. and SS energy: 9.077 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -2219.363993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2219.363993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2232.682274 (E_RNA)
where:
Base-Base interactions energy: -1572.900
where: short stacking energy: -667.674
Base-Backbone interact. energy: -2.747
local terms energy: -657.034435
where:
bonds (distance) C4'-P energy: -130.048
bonds (distance) P-C4' energy: -118.362
flat angles C4'-P-C4' energy: -137.399
flat angles P-C4'-P energy: -74.181
tors. eta vs tors. theta energy: -197.045
Dist. restrs. and SS energy: 13.318 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -2004.259975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2004.259975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.267249 (E_RNA)
where:
Base-Base interactions energy: -1452.226
where: short stacking energy: -594.598
Base-Backbone interact. energy: -4.517
local terms energy: -568.524650
where:
bonds (distance) C4'-P energy: -125.735
bonds (distance) P-C4' energy: -100.889
flat angles C4'-P-C4' energy: -115.954
flat angles P-C4'-P energy: -66.340
tors. eta vs tors. theta energy: -159.606
Dist. restrs. and SS energy: 21.007 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -1890.506722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.506722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.822104 (E_RNA)
where:
Base-Base interactions energy: -1336.994
where: short stacking energy: -546.752
Base-Backbone interact. energy: -4.436
local terms energy: -571.392504
where:
bonds (distance) C4'-P energy: -99.978
bonds (distance) P-C4' energy: -102.878
flat angles C4'-P-C4' energy: -134.960
flat angles P-C4'-P energy: -76.061
tors. eta vs tors. theta energy: -157.516
Dist. restrs. and SS energy: 22.315 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -2840.479328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2840.479328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2843.207258 (E_RNA)
where:
Base-Base interactions energy: -2000.457
where: short stacking energy: -831.167
Base-Backbone interact. energy: -3.235
local terms energy: -839.515035
where:
bonds (distance) C4'-P energy: -132.225
bonds (distance) P-C4' energy: -151.623
flat angles C4'-P-C4' energy: -169.199
flat angles P-C4'-P energy: -124.015
tors. eta vs tors. theta energy: -262.452
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: 5
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -2722.745206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2722.745206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2726.162929 (E_RNA)
where:
Base-Base interactions energy: -1901.433
where: short stacking energy: -787.947
Base-Backbone interact. energy: -2.049
local terms energy: -822.680912
where:
bonds (distance) C4'-P energy: -154.431
bonds (distance) P-C4' energy: -146.789
flat angles C4'-P-C4' energy: -180.002
flat angles P-C4'-P energy: -97.173
tors. eta vs tors. theta energy: -244.286
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: 8
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -2612.965995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2612.965995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2616.041632 (E_RNA)
where:
Base-Base interactions energy: -1849.084
where: short stacking energy: -762.161
Base-Backbone interact. energy: -3.910
local terms energy: -763.047619
where:
bonds (distance) C4'-P energy: -126.971
bonds (distance) P-C4' energy: -129.119
flat angles C4'-P-C4' energy: -159.315
flat angles P-C4'-P energy: -117.517
tors. eta vs tors. theta energy: -230.125
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: 4, replica: 9
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -2551.438568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2551.438568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2554.616767 (E_RNA)
where:
Base-Base interactions energy: -1767.870
where: short stacking energy: -780.588
Base-Backbone interact. energy: -1.405
local terms energy: -785.341209
where:
bonds (distance) C4'-P energy: -145.322
bonds (distance) P-C4' energy: -130.969
flat angles C4'-P-C4' energy: -174.734
flat angles P-C4'-P energy: -105.296
tors. eta vs tors. theta energy: -229.020
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: 5, replica: 1
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -2463.521515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2463.521515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2467.037988 (E_RNA)
where:
Base-Base interactions energy: -1729.378
where: short stacking energy: -704.536
Base-Backbone interact. energy: 0.989
local terms energy: -738.648680
where:
bonds (distance) C4'-P energy: -131.003
bonds (distance) P-C4' energy: -151.395
flat angles C4'-P-C4' energy: -155.039
flat angles P-C4'-P energy: -95.288
tors. eta vs tors. theta energy: -205.923
Dist. restrs. and SS energy: 3.516 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -2371.058144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2371.058144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2376.319218 (E_RNA)
where:
Base-Base interactions energy: -1676.203
where: short stacking energy: -703.543
Base-Backbone interact. energy: -2.534
local terms energy: -697.581935
where:
bonds (distance) C4'-P energy: -120.016
bonds (distance) P-C4' energy: -127.203
flat angles C4'-P-C4' energy: -154.974
flat angles P-C4'-P energy: -90.634
tors. eta vs tors. theta energy: -204.755
Dist. restrs. and SS energy: 5.261 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -2300.585546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2300.585546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2309.785178 (E_RNA)
where:
Base-Base interactions energy: -1624.704
where: short stacking energy: -691.499
Base-Backbone interact. energy: -3.031
local terms energy: -682.050495
where:
bonds (distance) C4'-P energy: -97.834
bonds (distance) P-C4' energy: -134.404
flat angles C4'-P-C4' energy: -147.727
flat angles P-C4'-P energy: -90.734
tors. eta vs tors. theta energy: -211.351
Dist. restrs. and SS energy: 9.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -2200.058256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2200.058256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2208.844420 (E_RNA)
where:
Base-Base interactions energy: -1551.463
where: short stacking energy: -672.612
Base-Backbone interact. energy: -0.818
local terms energy: -656.563488
where:
bonds (distance) C4'-P energy: -87.208
bonds (distance) P-C4' energy: -119.111
flat angles C4'-P-C4' energy: -156.124
flat angles P-C4'-P energy: -91.937
tors. eta vs tors. theta energy: -202.183
Dist. restrs. and SS energy: 8.786 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -1979.732903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1979.732903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1999.369793 (E_RNA)
where:
Base-Base interactions energy: -1362.090
where: short stacking energy: -579.636
Base-Backbone interact. energy: -2.247
local terms energy: -635.032616
where:
bonds (distance) C4'-P energy: -121.444
bonds (distance) P-C4' energy: -117.648
flat angles C4'-P-C4' energy: -141.726
flat angles P-C4'-P energy: -102.112
tors. eta vs tors. theta energy: -152.104
Dist. restrs. and SS energy: 19.637 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -1960.668326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.668326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1977.080414 (E_RNA)
where:
Base-Base interactions energy: -1389.221
where: short stacking energy: -574.678
Base-Backbone interact. energy: 2.961
local terms energy: -590.821183
where:
bonds (distance) C4'-P energy: -88.270
bonds (distance) P-C4' energy: -111.840
flat angles C4'-P-C4' energy: -141.468
flat angles P-C4'-P energy: -80.780
tors. eta vs tors. theta energy: -168.463
Dist. restrs. and SS energy: 16.412 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -2819.956343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2819.956343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2822.271618 (E_RNA)
where:
Base-Base interactions energy: -2002.900
where: short stacking energy: -841.716
Base-Backbone interact. energy: 0.441
local terms energy: -819.812911
where:
bonds (distance) C4'-P energy: -138.994
bonds (distance) P-C4' energy: -132.141
flat angles C4'-P-C4' energy: -172.759
flat angles P-C4'-P energy: -119.340
tors. eta vs tors. theta energy: -256.579
Dist. restrs. and SS energy: 2.315 (S_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: 433
Temperature: 0.950000
Total energy: -2704.058070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2704.058070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2707.320100 (E_RNA)
where:
Base-Base interactions energy: -1921.916
where: short stacking energy: -807.043
Base-Backbone interact. energy: -3.660
local terms energy: -781.744202
where:
bonds (distance) C4'-P energy: -127.527
bonds (distance) P-C4' energy: -146.292
flat angles C4'-P-C4' energy: -170.114
flat angles P-C4'-P energy: -106.499
tors. eta vs tors. theta energy: -231.311
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: 8
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -2597.995588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2597.995588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2601.658353 (E_RNA)
where:
Base-Base interactions energy: -1840.879
where: short stacking energy: -791.789
Base-Backbone interact. energy: -1.254
local terms energy: -759.525130
where:
bonds (distance) C4'-P energy: -128.339
bonds (distance) P-C4' energy: -130.083
flat angles C4'-P-C4' energy: -163.642
flat angles P-C4'-P energy: -110.917
tors. eta vs tors. theta energy: -226.544
Dist. restrs. and SS energy: 3.663 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -2495.996884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2495.996884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2506.857079 (E_RNA)
where:
Base-Base interactions energy: -1736.472
where: short stacking energy: -744.744
Base-Backbone interact. energy: -2.337
local terms energy: -768.048318
where:
bonds (distance) C4'-P energy: -145.958
bonds (distance) P-C4' energy: -134.645
flat angles C4'-P-C4' energy: -169.698
flat angles P-C4'-P energy: -99.308
tors. eta vs tors. theta energy: -218.440
Dist. restrs. and SS energy: 10.860 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -2482.208553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2482.208553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2485.810614 (E_RNA)
where:
Base-Base interactions energy: -1762.086
where: short stacking energy: -715.042
Base-Backbone interact. energy: -1.989
local terms energy: -721.735128
where:
bonds (distance) C4'-P energy: -116.323
bonds (distance) P-C4' energy: -125.770
flat angles C4'-P-C4' energy: -151.066
flat angles P-C4'-P energy: -113.515
tors. eta vs tors. theta energy: -215.061
Dist. restrs. and SS energy: 3.602 (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: 10
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -2333.532334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2333.532334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2341.955295 (E_RNA)
where:
Base-Base interactions energy: -1626.060
where: short stacking energy: -697.888
Base-Backbone interact. energy: 2.707
local terms energy: -718.602302
where:
bonds (distance) C4'-P energy: -121.289
bonds (distance) P-C4' energy: -130.928
flat angles C4'-P-C4' energy: -143.631
flat angles P-C4'-P energy: -101.601
tors. eta vs tors. theta energy: -221.153
Dist. restrs. and SS energy: 8.423 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -2321.505924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2321.505924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2329.482289 (E_RNA)
where:
Base-Base interactions energy: -1612.168
where: short stacking energy: -653.117
Base-Backbone interact. energy: -1.234
local terms energy: -716.080573
where:
bonds (distance) C4'-P energy: -136.727
bonds (distance) P-C4' energy: -137.369
flat angles C4'-P-C4' energy: -151.341
flat angles P-C4'-P energy: -86.480
tors. eta vs tors. theta energy: -204.164
Dist. restrs. and SS energy: 7.976 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -2191.783028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2191.783028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2202.315092 (E_RNA)
where:
Base-Base interactions energy: -1533.964
where: short stacking energy: -634.784
Base-Backbone interact. energy: -0.679
local terms energy: -667.671404
where:
bonds (distance) C4'-P energy: -105.319
bonds (distance) P-C4' energy: -122.688
flat angles C4'-P-C4' energy: -151.752
flat angles P-C4'-P energy: -89.146
tors. eta vs tors. theta energy: -198.767
Dist. restrs. and SS energy: 10.532 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -1956.208847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.208847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1983.761425 (E_RNA)
where:
Base-Base interactions energy: -1357.884
where: short stacking energy: -590.021
Base-Backbone interact. energy: -0.095
local terms energy: -625.782790
where:
bonds (distance) C4'-P energy: -116.759
bonds (distance) P-C4' energy: -138.286
flat angles C4'-P-C4' energy: -122.668
flat angles P-C4'-P energy: -81.388
tors. eta vs tors. theta energy: -166.681
Dist. restrs. and SS energy: 27.553 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -1982.392239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1982.392239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1998.200607 (E_RNA)
where:
Base-Base interactions energy: -1403.805
where: short stacking energy: -597.435
Base-Backbone interact. energy: -0.072
local terms energy: -594.323823
where:
bonds (distance) C4'-P energy: -121.253
bonds (distance) P-C4' energy: -82.914
flat angles C4'-P-C4' energy: -136.235
flat angles P-C4'-P energy: -88.731
tors. eta vs tors. theta energy: -165.191
Dist. restrs. and SS energy: 15.808 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -2821.409817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2821.409817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2824.276127 (E_RNA)
where:
Base-Base interactions energy: -1992.142
where: short stacking energy: -854.107
Base-Backbone interact. energy: -0.498
local terms energy: -831.636299
where:
bonds (distance) C4'-P energy: -144.716
bonds (distance) P-C4' energy: -136.909
flat angles C4'-P-C4' energy: -184.770
flat angles P-C4'-P energy: -108.715
tors. eta vs tors. theta energy: -256.526
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: 5
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -2699.597196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2699.597196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2706.693911 (E_RNA)
where:
Base-Base interactions energy: -1887.058
where: short stacking energy: -789.831
Base-Backbone interact. energy: -4.431
local terms energy: -815.204580
where:
bonds (distance) C4'-P energy: -152.951
bonds (distance) P-C4' energy: -144.523
flat angles C4'-P-C4' energy: -169.925
flat angles P-C4'-P energy: -107.043
tors. eta vs tors. theta energy: -240.763
Dist. restrs. and SS energy: 7.097 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -2586.151153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2586.151153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2588.175329 (E_RNA)
where:
Base-Base interactions energy: -1793.339
where: short stacking energy: -790.714
Base-Backbone interact. energy: -4.874
local terms energy: -789.962908
where:
bonds (distance) C4'-P energy: -139.888
bonds (distance) P-C4' energy: -129.588
flat angles C4'-P-C4' energy: -160.838
flat angles P-C4'-P energy: -122.164
tors. eta vs tors. theta energy: -237.486
Dist. restrs. and SS energy: 2.024 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -2487.501626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2487.501626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2496.055783 (E_RNA)
where:
Base-Base interactions energy: -1745.696
where: short stacking energy: -753.776
Base-Backbone interact. energy: 3.305
local terms energy: -753.665203
where:
bonds (distance) C4'-P energy: -140.724
bonds (distance) P-C4' energy: -124.530
flat angles C4'-P-C4' energy: -154.579
flat angles P-C4'-P energy: -104.569
tors. eta vs tors. theta energy: -229.263
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: 5, replica: 1
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -2460.047083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2460.047083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2462.881548 (E_RNA)
where:
Base-Base interactions energy: -1730.163
where: short stacking energy: -715.143
Base-Backbone interact. energy: -1.658
local terms energy: -731.059928
where:
bonds (distance) C4'-P energy: -140.808
bonds (distance) P-C4' energy: -127.322
flat angles C4'-P-C4' energy: -163.053
flat angles P-C4'-P energy: -99.491
tors. eta vs tors. theta energy: -200.386
Dist. restrs. and SS energy: 2.834 (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: 10
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -2359.560206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2359.560206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2366.018248 (E_RNA)
where:
Base-Base interactions energy: -1647.862
where: short stacking energy: -696.895
Base-Backbone interact. energy: -4.466
local terms energy: -713.690076
where:
bonds (distance) C4'-P energy: -116.227
bonds (distance) P-C4' energy: -118.757
flat angles C4'-P-C4' energy: -152.462
flat angles P-C4'-P energy: -116.316
tors. eta vs tors. theta energy: -209.928
Dist. restrs. and SS energy: 6.458 (S_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: 434
Temperature: 1.200000
Total energy: -2356.131041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2356.131041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2362.306308 (E_RNA)
where:
Base-Base interactions energy: -1649.767
where: short stacking energy: -682.524
Base-Backbone interact. energy: -2.813
local terms energy: -709.726939
where:
bonds (distance) C4'-P energy: -136.322
bonds (distance) P-C4' energy: -121.577
flat angles C4'-P-C4' energy: -152.959
flat angles P-C4'-P energy: -101.524
tors. eta vs tors. theta energy: -197.346
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: 8, replica: 3
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -2216.375903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2216.375903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2227.303215 (E_RNA)
where:
Base-Base interactions energy: -1556.936
where: short stacking energy: -649.098
Base-Backbone interact. energy: -0.803
local terms energy: -669.563990
where:
bonds (distance) C4'-P energy: -114.117
bonds (distance) P-C4' energy: -136.929
flat angles C4'-P-C4' energy: -149.658
flat angles P-C4'-P energy: -67.901
tors. eta vs tors. theta energy: -200.959
Dist. restrs. and SS energy: 10.927 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -2062.189799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2062.189799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2078.272805 (E_RNA)
where:
Base-Base interactions energy: -1461.772
where: short stacking energy: -617.222
Base-Backbone interact. energy: 1.825
local terms energy: -618.325196
where:
bonds (distance) C4'-P energy: -123.599
bonds (distance) P-C4' energy: -110.734
flat angles C4'-P-C4' energy: -139.657
flat angles P-C4'-P energy: -79.725
tors. eta vs tors. theta energy: -164.611
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: 6
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -1959.600557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.600557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1978.695133 (E_RNA)
where:
Base-Base interactions energy: -1375.307
where: short stacking energy: -573.843
Base-Backbone interact. energy: 2.531
local terms energy: -605.919182
where:
bonds (distance) C4'-P energy: -115.392
bonds (distance) P-C4' energy: -103.095
flat angles C4'-P-C4' energy: -149.290
flat angles P-C4'-P energy: -81.658
tors. eta vs tors. theta energy: -156.484
Dist. restrs. and SS energy: 19.095 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -2820.177231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2820.177231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2824.161509 (E_RNA)
where:
Base-Base interactions energy: -1974.415
where: short stacking energy: -825.348
Base-Backbone interact. energy: -2.747
local terms energy: -846.999592
where:
bonds (distance) C4'-P energy: -145.218
bonds (distance) P-C4' energy: -145.813
flat angles C4'-P-C4' energy: -176.290
flat angles P-C4'-P energy: -122.703
tors. eta vs tors. theta energy: -256.975
Dist. restrs. and SS energy: 3.984 (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: 5
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -2688.945175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2688.945175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2695.623096 (E_RNA)
where:
Base-Base interactions energy: -1904.493
where: short stacking energy: -774.614
Base-Backbone interact. energy: -2.707
local terms energy: -788.422709
where:
bonds (distance) C4'-P energy: -134.699
bonds (distance) P-C4' energy: -149.533
flat angles C4'-P-C4' energy: -161.951
flat angles P-C4'-P energy: -110.077
tors. eta vs tors. theta energy: -232.162
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: 3, replica: 8
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -2612.258235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2612.258235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2615.040589 (E_RNA)
where:
Base-Base interactions energy: -1833.603
where: short stacking energy: -765.213
Base-Backbone interact. energy: -2.549
local terms energy: -778.887766
where:
bonds (distance) C4'-P energy: -134.189
bonds (distance) P-C4' energy: -138.768
flat angles C4'-P-C4' energy: -172.312
flat angles P-C4'-P energy: -102.460
tors. eta vs tors. theta energy: -231.160
Dist. restrs. and SS energy: 2.782 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -2507.006389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2507.006389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2513.373168 (E_RNA)
where:
Base-Base interactions energy: -1773.744
where: short stacking energy: -764.257
Base-Backbone interact. energy: 0.098
local terms energy: -739.726917
where:
bonds (distance) C4'-P energy: -115.762
bonds (distance) P-C4' energy: -124.388
flat angles C4'-P-C4' energy: -163.706
flat angles P-C4'-P energy: -103.290
tors. eta vs tors. theta energy: -232.580
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: 5, replica: 1
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -2485.448084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2485.448084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2488.506401 (E_RNA)
where:
Base-Base interactions energy: -1761.425
where: short stacking energy: -721.264
Base-Backbone interact. energy: -2.424
local terms energy: -724.657607
where:
bonds (distance) C4'-P energy: -120.276
bonds (distance) P-C4' energy: -120.780
flat angles C4'-P-C4' energy: -158.440
flat angles P-C4'-P energy: -110.605
tors. eta vs tors. theta energy: -214.556
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: 6, replica: 10
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -2362.402889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2362.402889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2374.319966 (E_RNA)
where:
Base-Base interactions energy: -1673.352
where: short stacking energy: -713.256
Base-Backbone interact. energy: -1.600
local terms energy: -699.367726
where:
bonds (distance) C4'-P energy: -119.189
bonds (distance) P-C4' energy: -112.999
flat angles C4'-P-C4' energy: -152.833
flat angles P-C4'-P energy: -101.034
tors. eta vs tors. theta energy: -213.312
Dist. restrs. and SS energy: 11.917 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -2313.814732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2313.814732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2322.139348 (E_RNA)
where:
Base-Base interactions energy: -1620.470
where: short stacking energy: -696.965
Base-Backbone interact. energy: -0.988
local terms energy: -700.680931
where:
bonds (distance) C4'-P energy: -125.318
bonds (distance) P-C4' energy: -137.183
flat angles C4'-P-C4' energy: -132.860
flat angles P-C4'-P energy: -103.289
tors. eta vs tors. theta energy: -202.030
Dist. restrs. and SS energy: 8.325 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -2246.080623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2246.080623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2256.190387 (E_RNA)
where:
Base-Base interactions energy: -1596.955
where: short stacking energy: -671.064
Base-Backbone interact. energy: 0.115
local terms energy: -659.350568
where:
bonds (distance) C4'-P energy: -114.647
bonds (distance) P-C4' energy: -104.377
flat angles C4'-P-C4' energy: -142.034
flat angles P-C4'-P energy: -94.054
tors. eta vs tors. theta energy: -204.238
Dist. restrs. and SS energy: 10.110 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -2041.407877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2041.407877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2060.870540 (E_RNA)
where:
Base-Base interactions energy: -1399.637
where: short stacking energy: -573.801
Base-Backbone interact. energy: 2.838
local terms energy: -664.071799
where:
bonds (distance) C4'-P energy: -132.495
bonds (distance) P-C4' energy: -126.701
flat angles C4'-P-C4' energy: -143.621
flat angles P-C4'-P energy: -84.974
tors. eta vs tors. theta energy: -176.281
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: 10, replica: 6
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -1982.856742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1982.856742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1997.260309 (E_RNA)
where:
Base-Base interactions energy: -1398.734
where: short stacking energy: -579.021
Base-Backbone interact. energy: -3.522
local terms energy: -595.004402
where:
bonds (distance) C4'-P energy: -106.871
bonds (distance) P-C4' energy: -133.133
flat angles C4'-P-C4' energy: -122.317
flat angles P-C4'-P energy: -68.154
tors. eta vs tors. theta energy: -164.529
Dist. restrs. and SS energy: 14.404 (S_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: 436
Temperature: 0.900000
Total energy: -2815.438124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2815.438124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2818.421606 (E_RNA)
where:
Base-Base interactions energy: -1986.788
where: short stacking energy: -832.366
Base-Backbone interact. energy: -2.812
local terms energy: -828.822537
where:
bonds (distance) C4'-P energy: -142.452
bonds (distance) P-C4' energy: -147.152
flat angles C4'-P-C4' energy: -183.100
flat angles P-C4'-P energy: -111.844
tors. eta vs tors. theta energy: -244.275
Dist. restrs. and SS energy: 2.983 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -2676.542570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2676.542570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2681.856225 (E_RNA)
where:
Base-Base interactions energy: -1873.943
where: short stacking energy: -771.483
Base-Backbone interact. energy: -4.090
local terms energy: -803.823514
where:
bonds (distance) C4'-P energy: -158.461
bonds (distance) P-C4' energy: -141.380
flat angles C4'-P-C4' energy: -170.542
flat angles P-C4'-P energy: -115.280
tors. eta vs tors. theta energy: -218.160
Dist. restrs. and SS energy: 5.314 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -2625.281638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2625.281638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2627.005001 (E_RNA)
where:
Base-Base interactions energy: -1861.489
where: short stacking energy: -792.166
Base-Backbone interact. energy: -2.298
local terms energy: -763.218646
where:
bonds (distance) C4'-P energy: -118.039
bonds (distance) P-C4' energy: -146.361
flat angles C4'-P-C4' energy: -160.805
flat angles P-C4'-P energy: -113.702
tors. eta vs tors. theta energy: -224.312
Dist. restrs. and SS energy: 1.723 (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: 9
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -2505.001989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2505.001989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2512.210410 (E_RNA)
where:
Base-Base interactions energy: -1756.688
where: short stacking energy: -738.696
Base-Backbone interact. energy: -0.665
local terms energy: -754.857452
where:
bonds (distance) C4'-P energy: -126.270
bonds (distance) P-C4' energy: -131.872
flat angles C4'-P-C4' energy: -162.072
flat angles P-C4'-P energy: -100.848
tors. eta vs tors. theta energy: -233.795
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: 5, replica: 1
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -2511.823760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2511.823760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2515.131555 (E_RNA)
where:
Base-Base interactions energy: -1778.712
where: short stacking energy: -729.741
Base-Backbone interact. energy: -2.322
local terms energy: -734.096798
where:
bonds (distance) C4'-P energy: -122.695
bonds (distance) P-C4' energy: -128.899
flat angles C4'-P-C4' energy: -157.671
flat angles P-C4'-P energy: -106.613
tors. eta vs tors. theta energy: -218.218
Dist. restrs. and SS energy: 3.308 (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: 10
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -2375.409014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2375.409014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2382.231099 (E_RNA)
where:
Base-Base interactions energy: -1671.385
where: short stacking energy: -675.017
Base-Backbone interact. energy: -1.185
local terms energy: -709.661438
where:
bonds (distance) C4'-P energy: -140.293
bonds (distance) P-C4' energy: -133.057
flat angles C4'-P-C4' energy: -146.700
flat angles P-C4'-P energy: -91.189
tors. eta vs tors. theta energy: -198.422
Dist. restrs. and SS energy: 6.822 (S_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: 436
Temperature: 1.200000
Total energy: -2321.091843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2321.091843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2332.179554 (E_RNA)
where:
Base-Base interactions energy: -1618.243
where: short stacking energy: -686.556
Base-Backbone interact. energy: -2.200
local terms energy: -711.737257
where:
bonds (distance) C4'-P energy: -113.197
bonds (distance) P-C4' energy: -103.429
flat angles C4'-P-C4' energy: -152.495
flat angles P-C4'-P energy: -111.150
tors. eta vs tors. theta energy: -231.467
Dist. restrs. and SS energy: 11.088 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -2237.340751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2237.340751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2245.794708 (E_RNA)
where:
Base-Base interactions energy: -1593.632
where: short stacking energy: -684.908
Base-Backbone interact. energy: 3.766
local terms energy: -655.928649
where:
bonds (distance) C4'-P energy: -114.232
bonds (distance) P-C4' energy: -113.882
flat angles C4'-P-C4' energy: -134.321
flat angles P-C4'-P energy: -85.425
tors. eta vs tors. theta energy: -208.069
Dist. restrs. and SS energy: 8.454 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -2008.992322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2008.992322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2027.531253 (E_RNA)
where:
Base-Base interactions energy: -1438.044
where: short stacking energy: -578.039
Base-Backbone interact. energy: 4.410
local terms energy: -593.896459
where:
bonds (distance) C4'-P energy: -111.701
bonds (distance) P-C4' energy: -108.044
flat angles C4'-P-C4' energy: -142.450
flat angles P-C4'-P energy: -79.275
tors. eta vs tors. theta energy: -152.427
Dist. restrs. and SS energy: 18.539 (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: 4
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -2006.884081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2006.884081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2031.016477 (E_RNA)
where:
Base-Base interactions energy: -1442.136
where: short stacking energy: -602.097
Base-Backbone interact. energy: -3.343
local terms energy: -585.537677
where:
bonds (distance) C4'-P energy: -84.264
bonds (distance) P-C4' energy: -116.877
flat angles C4'-P-C4' energy: -139.702
flat angles P-C4'-P energy: -71.849
tors. eta vs tors. theta energy: -172.845
Dist. restrs. and SS energy: 24.132 (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: 2
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -2813.458940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2813.458940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2815.897789 (E_RNA)
where:
Base-Base interactions energy: -1965.490
where: short stacking energy: -834.085
Base-Backbone interact. energy: -2.578
local terms energy: -847.829819
where:
bonds (distance) C4'-P energy: -160.509
bonds (distance) P-C4' energy: -135.266
flat angles C4'-P-C4' energy: -177.550
flat angles P-C4'-P energy: -126.624
tors. eta vs tors. theta energy: -247.881
Dist. restrs. and SS energy: 2.439 (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: 5
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -2666.255024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2666.255024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2671.115243 (E_RNA)
where:
Base-Base interactions energy: -1850.338
where: short stacking energy: -768.975
Base-Backbone interact. energy: -2.813
local terms energy: -817.964040
where:
bonds (distance) C4'-P energy: -139.271
bonds (distance) P-C4' energy: -148.202
flat angles C4'-P-C4' energy: -168.297
flat angles P-C4'-P energy: -126.204
tors. eta vs tors. theta energy: -235.990
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: 3, replica: 8
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -2605.548552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2605.548552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2608.089731 (E_RNA)
where:
Base-Base interactions energy: -1830.416
where: short stacking energy: -760.713
Base-Backbone interact. energy: -2.789
local terms energy: -774.884520
where:
bonds (distance) C4'-P energy: -144.173
bonds (distance) P-C4' energy: -143.374
flat angles C4'-P-C4' energy: -163.976
flat angles P-C4'-P energy: -105.176
tors. eta vs tors. theta energy: -218.185
Dist. restrs. and SS energy: 2.541 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -2529.278999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2529.278999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2532.542808 (E_RNA)
where:
Base-Base interactions energy: -1811.720
where: short stacking energy: -761.137
Base-Backbone interact. energy: -2.565
local terms energy: -718.258356
where:
bonds (distance) C4'-P energy: -117.189
bonds (distance) P-C4' energy: -126.867
flat angles C4'-P-C4' energy: -161.210
flat angles P-C4'-P energy: -91.156
tors. eta vs tors. theta energy: -221.836
Dist. restrs. and SS energy: 3.264 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -2414.236174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2414.236174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2419.128261 (E_RNA)
where:
Base-Base interactions energy: -1714.152
where: short stacking energy: -727.732
Base-Backbone interact. energy: -2.803
local terms energy: -702.173359
where:
bonds (distance) C4'-P energy: -115.627
bonds (distance) P-C4' energy: -133.781
flat angles C4'-P-C4' energy: -149.407
flat angles P-C4'-P energy: -93.332
tors. eta vs tors. theta energy: -210.027
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: 6, replica: 10
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -2362.135294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2362.135294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2372.375252 (E_RNA)
where:
Base-Base interactions energy: -1666.265
where: short stacking energy: -716.729
Base-Backbone interact. energy: -3.656
local terms energy: -702.454017
where:
bonds (distance) C4'-P energy: -110.372
bonds (distance) P-C4' energy: -124.680
flat angles C4'-P-C4' energy: -152.648
flat angles P-C4'-P energy: -110.503
tors. eta vs tors. theta energy: -204.250
Dist. restrs. and SS energy: 10.240 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -2284.469947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2284.469947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2296.576311 (E_RNA)
where:
Base-Base interactions energy: -1605.526
where: short stacking energy: -670.821
Base-Backbone interact. energy: -2.552
local terms energy: -688.498828
where:
bonds (distance) C4'-P energy: -110.309
bonds (distance) P-C4' energy: -127.003
flat angles C4'-P-C4' energy: -164.411
flat angles P-C4'-P energy: -87.256
tors. eta vs tors. theta energy: -199.520
Dist. restrs. and SS energy: 12.106 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -2205.155589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2205.155589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2216.644118 (E_RNA)
where:
Base-Base interactions energy: -1575.235
where: short stacking energy: -646.697
Base-Backbone interact. energy: 6.845
local terms energy: -648.254163
where:
bonds (distance) C4'-P energy: -109.225
bonds (distance) P-C4' energy: -121.411
flat angles C4'-P-C4' energy: -136.715
flat angles P-C4'-P energy: -83.385
tors. eta vs tors. theta energy: -197.519
Dist. restrs. and SS energy: 11.489 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -2050.209113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2050.209113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2062.184424 (E_RNA)
where:
Base-Base interactions energy: -1444.568
where: short stacking energy: -603.265
Base-Backbone interact. energy: -0.325
local terms energy: -617.291895
where:
bonds (distance) C4'-P energy: -117.689
bonds (distance) P-C4' energy: -114.283
flat angles C4'-P-C4' energy: -148.054
flat angles P-C4'-P energy: -63.859
tors. eta vs tors. theta energy: -173.407
Dist. restrs. and SS energy: 11.975 (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: 4
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -2005.931764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2005.931764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2020.926884 (E_RNA)
where:
Base-Base interactions energy: -1399.139
where: short stacking energy: -577.797
Base-Backbone interact. energy: -1.832
local terms energy: -619.955789
where:
bonds (distance) C4'-P energy: -111.276
bonds (distance) P-C4' energy: -135.751
flat angles C4'-P-C4' energy: -122.891
flat angles P-C4'-P energy: -80.016
tors. eta vs tors. theta energy: -170.022
Dist. restrs. and SS energy: 14.995 (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: 2
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -2826.830980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2826.830980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2830.346655 (E_RNA)
where:
Base-Base interactions energy: -2000.070
where: short stacking energy: -820.553
Base-Backbone interact. energy: 1.554
local terms energy: -831.830505
where:
bonds (distance) C4'-P energy: -145.700
bonds (distance) P-C4' energy: -157.477
flat angles C4'-P-C4' energy: -169.465
flat angles P-C4'-P energy: -105.681
tors. eta vs tors. theta energy: -253.508
Dist. restrs. and SS energy: 3.516 (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: 5
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -2689.878283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2689.878283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2694.251154 (E_RNA)
where:
Base-Base interactions energy: -1889.712
where: short stacking energy: -788.671
Base-Backbone interact. energy: -2.353
local terms energy: -802.185945
where:
bonds (distance) C4'-P energy: -132.292
bonds (distance) P-C4' energy: -148.264
flat angles C4'-P-C4' energy: -175.925
flat angles P-C4'-P energy: -117.319
tors. eta vs tors. theta energy: -228.386
Dist. restrs. and SS energy: 4.373 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -2607.795995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2607.795995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2609.990258 (E_RNA)
where:
Base-Base interactions energy: -1848.401
where: short stacking energy: -782.652
Base-Backbone interact. energy: -1.065
local terms energy: -760.525028
where:
bonds (distance) C4'-P energy: -131.245
bonds (distance) P-C4' energy: -132.203
flat angles C4'-P-C4' energy: -162.299
flat angles P-C4'-P energy: -98.988
tors. eta vs tors. theta energy: -235.790
Dist. restrs. and SS energy: 2.194 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -2524.146771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2524.146771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2529.512380 (E_RNA)
where:
Base-Base interactions energy: -1761.398
where: short stacking energy: -732.972
Base-Backbone interact. energy: -0.038
local terms energy: -768.076517
where:
bonds (distance) C4'-P energy: -131.542
bonds (distance) P-C4' energy: -141.301
flat angles C4'-P-C4' energy: -160.625
flat angles P-C4'-P energy: -116.698
tors. eta vs tors. theta energy: -217.911
Dist. restrs. and SS energy: 5.366 (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: 9
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -2442.082208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2442.082208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2450.813271 (E_RNA)
where:
Base-Base interactions energy: -1698.225
where: short stacking energy: -716.089
Base-Backbone interact. energy: -1.697
local terms energy: -750.891124
where:
bonds (distance) C4'-P energy: -142.137
bonds (distance) P-C4' energy: -130.227
flat angles C4'-P-C4' energy: -154.340
flat angles P-C4'-P energy: -108.317
tors. eta vs tors. theta energy: -215.870
Dist. restrs. and SS energy: 8.731 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -2378.060985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2378.060985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2383.420695 (E_RNA)
where:
Base-Base interactions energy: -1653.572
where: short stacking energy: -699.418
Base-Backbone interact. energy: -1.519
local terms energy: -728.329825
where:
bonds (distance) C4'-P energy: -130.974
bonds (distance) P-C4' energy: -138.383
flat angles C4'-P-C4' energy: -148.564
flat angles P-C4'-P energy: -96.649
tors. eta vs tors. theta energy: -213.759
Dist. restrs. and SS energy: 5.360 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -2306.005282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2306.005282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2314.631783 (E_RNA)
where:
Base-Base interactions energy: -1644.690
where: short stacking energy: -697.249
Base-Backbone interact. energy: 3.003
local terms energy: -672.944993
where:
bonds (distance) C4'-P energy: -116.930
bonds (distance) P-C4' energy: -117.862
flat angles C4'-P-C4' energy: -151.557
flat angles P-C4'-P energy: -80.317
tors. eta vs tors. theta energy: -206.279
Dist. restrs. and SS energy: 8.627 (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: 7
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -2230.826725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2230.826725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2238.762553 (E_RNA)
where:
Base-Base interactions energy: -1609.495
where: short stacking energy: -679.344
Base-Backbone interact. energy: -0.363
local terms energy: -628.905102
where:
bonds (distance) C4'-P energy: -109.425
bonds (distance) P-C4' energy: -93.849
flat angles C4'-P-C4' energy: -141.984
flat angles P-C4'-P energy: -76.078
tors. eta vs tors. theta energy: -207.569
Dist. restrs. and SS energy: 7.936 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -1994.538621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1994.538621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2014.824584 (E_RNA)
where:
Base-Base interactions energy: -1403.835
where: short stacking energy: -573.462
Base-Backbone interact. energy: 3.954
local terms energy: -614.943878
where:
bonds (distance) C4'-P energy: -120.676
bonds (distance) P-C4' energy: -128.074
flat angles C4'-P-C4' energy: -127.415
flat angles P-C4'-P energy: -75.060
tors. eta vs tors. theta energy: -163.719
Dist. restrs. and SS energy: 20.286 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -2000.245611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.245611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2022.767377 (E_RNA)
where:
Base-Base interactions energy: -1444.564
where: short stacking energy: -572.638
Base-Backbone interact. energy: -3.460
local terms energy: -574.743489
where:
bonds (distance) C4'-P energy: -88.335
bonds (distance) P-C4' energy: -120.538
flat angles C4'-P-C4' energy: -148.037
flat angles P-C4'-P energy: -67.616
tors. eta vs tors. theta energy: -150.218
Dist. restrs. and SS energy: 22.522 (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: 2
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -2811.994187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2811.994187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2814.717843 (E_RNA)
where:
Base-Base interactions energy: -1975.497
where: short stacking energy: -843.365
Base-Backbone interact. energy: -2.694
local terms energy: -836.526610
where:
bonds (distance) C4'-P energy: -147.410
bonds (distance) P-C4' energy: -131.673
flat angles C4'-P-C4' energy: -182.385
flat angles P-C4'-P energy: -127.049
tors. eta vs tors. theta energy: -248.010
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: 2, replica: 5
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -2661.847512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2661.847512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2666.282684 (E_RNA)
where:
Base-Base interactions energy: -1883.835
where: short stacking energy: -763.593
Base-Backbone interact. energy: -4.349
local terms energy: -778.098729
where:
bonds (distance) C4'-P energy: -134.336
bonds (distance) P-C4' energy: -140.716
flat angles C4'-P-C4' energy: -166.517
flat angles P-C4'-P energy: -116.076
tors. eta vs tors. theta energy: -220.453
Dist. restrs. and SS energy: 4.435 (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: 439
Temperature: 1.000000
Total energy: -2613.529680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2613.529680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2616.324439 (E_RNA)
where:
Base-Base interactions energy: -1835.093
where: short stacking energy: -780.944
Base-Backbone interact. energy: -3.277
local terms energy: -777.954352
where:
bonds (distance) C4'-P energy: -131.273
bonds (distance) P-C4' energy: -137.418
flat angles C4'-P-C4' energy: -174.416
flat angles P-C4'-P energy: -100.247
tors. eta vs tors. theta energy: -234.601
Dist. restrs. and SS energy: 2.795 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -2537.894578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2537.894578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2542.386934 (E_RNA)
where:
Base-Base interactions energy: -1802.076
where: short stacking energy: -750.158
Base-Backbone interact. energy: 0.375
local terms energy: -740.686125
where:
bonds (distance) C4'-P energy: -121.507
bonds (distance) P-C4' energy: -132.897
flat angles C4'-P-C4' energy: -156.761
flat angles P-C4'-P energy: -107.277
tors. eta vs tors. theta energy: -222.245
Dist. restrs. and SS energy: 4.492 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -2422.236157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2422.236157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2433.581637 (E_RNA)
where:
Base-Base interactions energy: -1684.511
where: short stacking energy: -703.292
Base-Backbone interact. energy: -4.106
local terms energy: -744.964514
where:
bonds (distance) C4'-P energy: -133.798
bonds (distance) P-C4' energy: -127.752
flat angles C4'-P-C4' energy: -163.487
flat angles P-C4'-P energy: -103.262
tors. eta vs tors. theta energy: -216.665
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: 6, replica: 10
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -2398.562289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2398.562289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2407.810693 (E_RNA)
where:
Base-Base interactions energy: -1687.944
where: short stacking energy: -711.861
Base-Backbone interact. energy: -4.937
local terms energy: -714.929342
where:
bonds (distance) C4'-P energy: -128.511
bonds (distance) P-C4' energy: -131.218
flat angles C4'-P-C4' energy: -146.508
flat angles P-C4'-P energy: -96.295
tors. eta vs tors. theta energy: -212.397
Dist. restrs. and SS energy: 9.248 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -2296.978870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2296.978870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2305.122058 (E_RNA)
where:
Base-Base interactions energy: -1639.879
where: short stacking energy: -675.569
Base-Backbone interact. energy: -1.110
local terms energy: -664.133090
where:
bonds (distance) C4'-P energy: -120.578
bonds (distance) P-C4' energy: -116.346
flat angles C4'-P-C4' energy: -144.499
flat angles P-C4'-P energy: -82.200
tors. eta vs tors. theta energy: -200.509
Dist. restrs. and SS energy: 8.143 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -2224.176167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2224.176167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2230.404962 (E_RNA)
where:
Base-Base interactions energy: -1565.261
where: short stacking energy: -660.956
Base-Backbone interact. energy: 1.474
local terms energy: -666.618019
where:
bonds (distance) C4'-P energy: -111.604
bonds (distance) P-C4' energy: -111.833
flat angles C4'-P-C4' energy: -151.161
flat angles P-C4'-P energy: -94.648
tors. eta vs tors. theta energy: -197.372
Dist. restrs. and SS energy: 6.229 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -1963.461325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1963.461325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1982.841455 (E_RNA)
where:
Base-Base interactions energy: -1377.700
where: short stacking energy: -517.588
Base-Backbone interact. energy: -1.356
local terms energy: -603.784816
where:
bonds (distance) C4'-P energy: -94.674
bonds (distance) P-C4' energy: -117.258
flat angles C4'-P-C4' energy: -134.576
flat angles P-C4'-P energy: -106.615
tors. eta vs tors. theta energy: -150.660
Dist. restrs. and SS energy: 19.380 (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: 6
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -1966.929072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1966.929072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.566533 (E_RNA)
where:
Base-Base interactions energy: -1385.356
where: short stacking energy: -561.812
Base-Backbone interact. energy: 5.322
local terms energy: -610.531738
where:
bonds (distance) C4'-P energy: -109.567
bonds (distance) P-C4' energy: -116.961
flat angles C4'-P-C4' energy: -127.705
flat angles P-C4'-P energy: -95.728
tors. eta vs tors. theta energy: -160.571
Dist. restrs. and SS energy: 23.637 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -2818.942089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2818.942089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2822.746295 (E_RNA)
where:
Base-Base interactions energy: -1977.661
where: short stacking energy: -836.646
Base-Backbone interact. energy: -1.755
local terms energy: -843.330002
where:
bonds (distance) C4'-P energy: -137.086
bonds (distance) P-C4' energy: -150.350
flat angles C4'-P-C4' energy: -176.448
flat angles P-C4'-P energy: -127.726
tors. eta vs tors. theta energy: -251.720
Dist. restrs. and SS energy: 3.804 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -2658.290520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2658.290520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2663.073834 (E_RNA)
where:
Base-Base interactions energy: -1889.237
where: short stacking energy: -782.713
Base-Backbone interact. energy: -2.672
local terms energy: -771.164625
where:
bonds (distance) C4'-P energy: -135.190
bonds (distance) P-C4' energy: -138.829
flat angles C4'-P-C4' energy: -172.840
flat angles P-C4'-P energy: -102.857
tors. eta vs tors. theta energy: -221.448
Dist. restrs. and SS energy: 4.783 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -2608.493742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2608.493742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2613.052673 (E_RNA)
where:
Base-Base interactions energy: -1827.024
where: short stacking energy: -778.419
Base-Backbone interact. energy: -4.451
local terms energy: -781.577561
where:
bonds (distance) C4'-P energy: -144.360
bonds (distance) P-C4' energy: -139.874
flat angles C4'-P-C4' energy: -158.927
flat angles P-C4'-P energy: -105.760
tors. eta vs tors. theta energy: -232.656
Dist. restrs. and SS energy: 4.559 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -2552.566296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2552.566296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2557.653126 (E_RNA)
where:
Base-Base interactions energy: -1768.012
where: short stacking energy: -760.907
Base-Backbone interact. energy: -1.678
local terms energy: -787.962986
where:
bonds (distance) C4'-P energy: -149.480
bonds (distance) P-C4' energy: -145.359
flat angles C4'-P-C4' energy: -161.465
flat angles P-C4'-P energy: -103.845
tors. eta vs tors. theta energy: -227.814
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: 5, replica: 9
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -2414.244219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2414.244219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2423.499829 (E_RNA)
where:
Base-Base interactions energy: -1708.063
where: short stacking energy: -701.736
Base-Backbone interact. energy: -1.621
local terms energy: -713.816508
where:
bonds (distance) C4'-P energy: -116.459
bonds (distance) P-C4' energy: -142.231
flat angles C4'-P-C4' energy: -149.320
flat angles P-C4'-P energy: -99.137
tors. eta vs tors. theta energy: -206.669
Dist. restrs. and SS energy: 9.256 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -2396.279086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2396.279086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2403.857178 (E_RNA)
where:
Base-Base interactions energy: -1655.683
where: short stacking energy: -720.037
Base-Backbone interact. energy: -2.354
local terms energy: -745.820221
where:
bonds (distance) C4'-P energy: -118.049
bonds (distance) P-C4' energy: -142.595
flat angles C4'-P-C4' energy: -158.924
flat angles P-C4'-P energy: -100.350
tors. eta vs tors. theta energy: -225.901
Dist. restrs. and SS energy: 7.578 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -2307.238290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2307.238290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2319.280818 (E_RNA)
where:
Base-Base interactions energy: -1638.137
where: short stacking energy: -689.880
Base-Backbone interact. energy: -2.913
local terms energy: -678.230771
where:
bonds (distance) C4'-P energy: -118.062
bonds (distance) P-C4' energy: -131.777
flat angles C4'-P-C4' energy: -135.778
flat angles P-C4'-P energy: -89.435
tors. eta vs tors. theta energy: -203.179
Dist. restrs. and SS energy: 12.043 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -2228.588560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2228.588560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2235.000224 (E_RNA)
where:
Base-Base interactions energy: -1584.551
where: short stacking energy: -682.093
Base-Backbone interact. energy: 0.759
local terms energy: -651.208126
where:
bonds (distance) C4'-P energy: -92.887
bonds (distance) P-C4' energy: -97.748
flat angles C4'-P-C4' energy: -150.676
flat angles P-C4'-P energy: -106.007
tors. eta vs tors. theta energy: -203.890
Dist. restrs. and SS energy: 6.412 (S_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: 440
Temperature: 1.300000
Total energy: -2013.242498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2013.242498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.330479 (E_RNA)
where:
Base-Base interactions energy: -1408.709
where: short stacking energy: -582.216
Base-Backbone interact. energy: -4.704
local terms energy: -619.917778
where:
bonds (distance) C4'-P energy: -90.172
bonds (distance) P-C4' energy: -138.306
flat angles C4'-P-C4' energy: -143.727
flat angles P-C4'-P energy: -80.613
tors. eta vs tors. theta energy: -167.099
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: 10, replica: 6
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -1914.569268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1914.569268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1929.683570 (E_RNA)
where:
Base-Base interactions energy: -1376.958
where: short stacking energy: -564.544
Base-Backbone interact. energy: -1.918
local terms energy: -550.807643
where:
bonds (distance) C4'-P energy: -116.441
bonds (distance) P-C4' energy: -92.611
flat angles C4'-P-C4' energy: -130.418
flat angles P-C4'-P energy: -63.927
tors. eta vs tors. theta energy: -147.411
Dist. restrs. and SS energy: 15.114 (S_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: 441
Temperature: 0.900000
Total energy: -2820.665937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2820.665937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2824.436502 (E_RNA)
where:
Base-Base interactions energy: -1989.177
where: short stacking energy: -851.179
Base-Backbone interact. energy: -3.228
local terms energy: -832.031313
where:
bonds (distance) C4'-P energy: -131.448
bonds (distance) P-C4' energy: -153.827
flat angles C4'-P-C4' energy: -181.625
flat angles P-C4'-P energy: -119.133
tors. eta vs tors. theta energy: -245.999
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: 5
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -2670.326505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2670.326505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2676.873072 (E_RNA)
where:
Base-Base interactions energy: -1880.173
where: short stacking energy: -789.887
Base-Backbone interact. energy: -1.128
local terms energy: -795.572193
where:
bonds (distance) C4'-P energy: -134.782
bonds (distance) P-C4' energy: -142.235
flat angles C4'-P-C4' energy: -164.486
flat angles P-C4'-P energy: -121.531
tors. eta vs tors. theta energy: -232.537
Dist. restrs. and SS energy: 6.547 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -2580.890010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2580.890010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2584.480562 (E_RNA)
where:
Base-Base interactions energy: -1836.013
where: short stacking energy: -748.785
Base-Backbone interact. energy: -4.636
local terms energy: -743.831903
where:
bonds (distance) C4'-P energy: -120.408
bonds (distance) P-C4' energy: -133.034
flat angles C4'-P-C4' energy: -162.676
flat angles P-C4'-P energy: -108.895
tors. eta vs tors. theta energy: -218.820
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: 4, replica: 1
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -2558.059183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2558.059183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2562.324785 (E_RNA)
where:
Base-Base interactions energy: -1815.196
where: short stacking energy: -783.295
Base-Backbone interact. energy: -2.069
local terms energy: -745.059753
where:
bonds (distance) C4'-P energy: -124.253
bonds (distance) P-C4' energy: -129.239
flat angles C4'-P-C4' energy: -147.159
flat angles P-C4'-P energy: -113.763
tors. eta vs tors. theta energy: -230.646
Dist. restrs. and SS energy: 4.266 (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: 9
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -2434.721488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2434.721488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2443.170080 (E_RNA)
where:
Base-Base interactions energy: -1710.636
where: short stacking energy: -725.283
Base-Backbone interact. energy: 0.652
local terms energy: -733.185704
where:
bonds (distance) C4'-P energy: -114.440
bonds (distance) P-C4' energy: -138.466
flat angles C4'-P-C4' energy: -150.493
flat angles P-C4'-P energy: -100.619
tors. eta vs tors. theta energy: -229.167
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: 3
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -2354.185217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2354.185217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2368.417245 (E_RNA)
where:
Base-Base interactions energy: -1640.845
where: short stacking energy: -705.079
Base-Backbone interact. energy: 1.891
local terms energy: -729.462472
where:
bonds (distance) C4'-P energy: -130.792
bonds (distance) P-C4' energy: -125.696
flat angles C4'-P-C4' energy: -145.924
flat angles P-C4'-P energy: -104.040
tors. eta vs tors. theta energy: -223.011
Dist. restrs. and SS energy: 14.232 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -2309.451793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2309.451793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2316.577787 (E_RNA)
where:
Base-Base interactions energy: -1636.191
where: short stacking energy: -684.275
Base-Backbone interact. energy: -2.723
local terms energy: -677.663856
where:
bonds (distance) C4'-P energy: -125.932
bonds (distance) P-C4' energy: -130.699
flat angles C4'-P-C4' energy: -145.836
flat angles P-C4'-P energy: -79.111
tors. eta vs tors. theta energy: -196.087
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: 8, replica: 7
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -2293.376174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2293.376174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2299.586928 (E_RNA)
where:
Base-Base interactions energy: -1645.045
where: short stacking energy: -690.026
Base-Backbone interact. energy: -1.958
local terms energy: -652.584011
where:
bonds (distance) C4'-P energy: -120.358
bonds (distance) P-C4' energy: -104.751
flat angles C4'-P-C4' energy: -124.750
flat angles P-C4'-P energy: -102.069
tors. eta vs tors. theta energy: -200.656
Dist. restrs. and SS energy: 6.211 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -2063.701993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2063.701993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2084.986783 (E_RNA)
where:
Base-Base interactions energy: -1416.583
where: short stacking energy: -619.403
Base-Backbone interact. energy: -1.033
local terms energy: -667.371035
where:
bonds (distance) C4'-P energy: -122.713
bonds (distance) P-C4' energy: -139.390
flat angles C4'-P-C4' energy: -142.034
flat angles P-C4'-P energy: -79.594
tors. eta vs tors. theta energy: -183.641
Dist. restrs. and SS energy: 21.285 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -1932.156147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.156147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1962.088258 (E_RNA)
where:
Base-Base interactions energy: -1406.996
where: short stacking energy: -587.461
Base-Backbone interact. energy: -0.667
local terms energy: -554.425149
where:
bonds (distance) C4'-P energy: -77.455
bonds (distance) P-C4' energy: -124.445
flat angles C4'-P-C4' energy: -121.793
flat angles P-C4'-P energy: -72.032
tors. eta vs tors. theta energy: -158.700
Dist. restrs. and SS energy: 29.932 (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: 2
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -2804.642239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2804.642239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2808.911846 (E_RNA)
where:
Base-Base interactions energy: -1979.950
where: short stacking energy: -815.005
Base-Backbone interact. energy: -0.144
local terms energy: -828.817018
where:
bonds (distance) C4'-P energy: -162.044
bonds (distance) P-C4' energy: -142.410
flat angles C4'-P-C4' energy: -168.608
flat angles P-C4'-P energy: -114.589
tors. eta vs tors. theta energy: -241.167
Dist. restrs. and SS energy: 4.270 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -2663.991436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2663.991436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2668.888075 (E_RNA)
where:
Base-Base interactions energy: -1882.664
where: short stacking energy: -799.522
Base-Backbone interact. energy: -2.910
local terms energy: -783.313805
where:
bonds (distance) C4'-P energy: -123.720
bonds (distance) P-C4' energy: -145.608
flat angles C4'-P-C4' energy: -163.054
flat angles P-C4'-P energy: -120.542
tors. eta vs tors. theta energy: -230.391
Dist. restrs. and SS energy: 4.897 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -2572.421602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2572.421602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2576.350426 (E_RNA)
where:
Base-Base interactions energy: -1791.122
where: short stacking energy: -778.082
Base-Backbone interact. energy: -4.917
local terms energy: -780.310858
where:
bonds (distance) C4'-P energy: -138.089
bonds (distance) P-C4' energy: -133.534
flat angles C4'-P-C4' energy: -162.757
flat angles P-C4'-P energy: -116.009
tors. eta vs tors. theta energy: -229.922
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: 4, replica: 1
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -2505.643607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2505.643607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2509.040916 (E_RNA)
where:
Base-Base interactions energy: -1762.221
where: short stacking energy: -734.321
Base-Backbone interact. energy: -4.365
local terms energy: -742.454544
where:
bonds (distance) C4'-P energy: -127.380
bonds (distance) P-C4' energy: -133.439
flat angles C4'-P-C4' energy: -166.079
flat angles P-C4'-P energy: -100.700
tors. eta vs tors. theta energy: -214.857
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: 5, replica: 3
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -2421.209301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2421.209301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2426.824224 (E_RNA)
where:
Base-Base interactions energy: -1727.932
where: short stacking energy: -718.236
Base-Backbone interact. energy: 2.958
local terms energy: -701.849753
where:
bonds (distance) C4'-P energy: -127.632
bonds (distance) P-C4' energy: -134.245
flat angles C4'-P-C4' energy: -145.666
flat angles P-C4'-P energy: -85.765
tors. eta vs tors. theta energy: -208.542
Dist. restrs. and SS energy: 5.615 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -2382.031019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2382.031019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2394.405197 (E_RNA)
where:
Base-Base interactions energy: -1681.419
where: short stacking energy: -713.634
Base-Backbone interact. energy: 2.269
local terms energy: -715.255190
where:
bonds (distance) C4'-P energy: -130.802
bonds (distance) P-C4' energy: -125.162
flat angles C4'-P-C4' energy: -148.898
flat angles P-C4'-P energy: -91.420
tors. eta vs tors. theta energy: -218.973
Dist. restrs. and SS energy: 12.374 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -2380.184560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2380.184560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2391.471308 (E_RNA)
where:
Base-Base interactions energy: -1692.148
where: short stacking energy: -707.816
Base-Backbone interact. energy: 1.477
local terms energy: -700.800421
where:
bonds (distance) C4'-P energy: -118.620
bonds (distance) P-C4' energy: -114.604
flat angles C4'-P-C4' energy: -149.006
flat angles P-C4'-P energy: -108.211
tors. eta vs tors. theta energy: -210.358
Dist. restrs. and SS energy: 11.287 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -2194.113979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2194.113979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2203.302796 (E_RNA)
where:
Base-Base interactions energy: -1526.615
where: short stacking energy: -628.097
Base-Backbone interact. energy: -2.625
local terms energy: -674.063224
where:
bonds (distance) C4'-P energy: -128.089
bonds (distance) P-C4' energy: -120.362
flat angles C4'-P-C4' energy: -143.271
flat angles P-C4'-P energy: -92.422
tors. eta vs tors. theta energy: -189.919
Dist. restrs. and SS energy: 9.189 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -2078.209647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2078.209647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2091.556759 (E_RNA)
where:
Base-Base interactions energy: -1464.284
where: short stacking energy: -613.450
Base-Backbone interact. energy: 2.279
local terms energy: -629.552567
where:
bonds (distance) C4'-P energy: -123.785
bonds (distance) P-C4' energy: -111.921
flat angles C4'-P-C4' energy: -131.818
flat angles P-C4'-P energy: -81.744
tors. eta vs tors. theta energy: -180.285
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: 442
Temperature: 1.350000
Total energy: -1922.528290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.528290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.724402 (E_RNA)
where:
Base-Base interactions energy: -1373.386
where: short stacking energy: -554.545
Base-Backbone interact. energy: -0.587
local terms energy: -565.750982
where:
bonds (distance) C4'-P energy: -104.141
bonds (distance) P-C4' energy: -134.643
flat angles C4'-P-C4' energy: -123.176
flat angles P-C4'-P energy: -73.937
tors. eta vs tors. theta energy: -129.854
Dist. restrs. and SS energy: 17.196 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -2809.105417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2809.105417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2813.331846 (E_RNA)
where:
Base-Base interactions energy: -1966.509
where: short stacking energy: -836.728
Base-Backbone interact. energy: -1.957
local terms energy: -844.865713
where:
bonds (distance) C4'-P energy: -157.341
bonds (distance) P-C4' energy: -148.718
flat angles C4'-P-C4' energy: -171.717
flat angles P-C4'-P energy: -122.047
tors. eta vs tors. theta energy: -245.042
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: 2, replica: 5
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -2657.879868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2657.879868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2662.702914 (E_RNA)
where:
Base-Base interactions energy: -1879.153
where: short stacking energy: -805.734
Base-Backbone interact. energy: -2.428
local terms energy: -781.121735
where:
bonds (distance) C4'-P energy: -118.648
bonds (distance) P-C4' energy: -148.538
flat angles C4'-P-C4' energy: -167.834
flat angles P-C4'-P energy: -111.024
tors. eta vs tors. theta energy: -235.078
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: 8
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -2577.898082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2577.898082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2583.601712 (E_RNA)
where:
Base-Base interactions energy: -1818.351
where: short stacking energy: -783.978
Base-Backbone interact. energy: -3.740
local terms energy: -761.511003
where:
bonds (distance) C4'-P energy: -122.508
bonds (distance) P-C4' energy: -143.987
flat angles C4'-P-C4' energy: -165.098
flat angles P-C4'-P energy: -105.940
tors. eta vs tors. theta energy: -223.977
Dist. restrs. and SS energy: 5.704 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -2534.814679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2534.814679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2538.208540 (E_RNA)
where:
Base-Base interactions energy: -1789.285
where: short stacking energy: -750.490
Base-Backbone interact. energy: -1.518
local terms energy: -747.405594
where:
bonds (distance) C4'-P energy: -130.457
bonds (distance) P-C4' energy: -136.859
flat angles C4'-P-C4' energy: -161.871
flat angles P-C4'-P energy: -101.882
tors. eta vs tors. theta energy: -216.336
Dist. restrs. and SS energy: 3.394 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -2432.357384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2432.357384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2441.273489 (E_RNA)
where:
Base-Base interactions energy: -1726.990
where: short stacking energy: -745.203
Base-Backbone interact. energy: -0.144
local terms energy: -714.139766
where:
bonds (distance) C4'-P energy: -118.111
bonds (distance) P-C4' energy: -139.075
flat angles C4'-P-C4' energy: -139.630
flat angles P-C4'-P energy: -95.360
tors. eta vs tors. theta energy: -221.964
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: 6, replica: 10
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -2348.160484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2348.160484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2358.213562 (E_RNA)
where:
Base-Base interactions energy: -1640.335
where: short stacking energy: -679.229
Base-Backbone interact. energy: -3.121
local terms energy: -714.758256
where:
bonds (distance) C4'-P energy: -125.685
bonds (distance) P-C4' energy: -133.825
flat angles C4'-P-C4' energy: -163.808
flat angles P-C4'-P energy: -91.718
tors. eta vs tors. theta energy: -199.723
Dist. restrs. and SS energy: 10.053 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -2316.778342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2316.778342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2323.792955 (E_RNA)
where:
Base-Base interactions energy: -1620.231
where: short stacking energy: -673.268
Base-Backbone interact. energy: -3.261
local terms energy: -700.300602
where:
bonds (distance) C4'-P energy: -114.091
bonds (distance) P-C4' energy: -125.169
flat angles C4'-P-C4' energy: -140.526
flat angles P-C4'-P energy: -107.294
tors. eta vs tors. theta energy: -213.221
Dist. restrs. and SS energy: 7.015 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -2225.140811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2225.140811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2235.804220 (E_RNA)
where:
Base-Base interactions energy: -1587.911
where: short stacking energy: -644.999
Base-Backbone interact. energy: -0.650
local terms energy: -647.243571
where:
bonds (distance) C4'-P energy: -109.855
bonds (distance) P-C4' energy: -118.406
flat angles C4'-P-C4' energy: -148.178
flat angles P-C4'-P energy: -73.947
tors. eta vs tors. theta energy: -196.856
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: 9, replica: 4
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -2094.222558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2094.222558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2111.577364 (E_RNA)
where:
Base-Base interactions energy: -1474.292
where: short stacking energy: -629.665
Base-Backbone interact. energy: -1.412
local terms energy: -635.873634
where:
bonds (distance) C4'-P energy: -98.063
bonds (distance) P-C4' energy: -133.861
flat angles C4'-P-C4' energy: -140.680
flat angles P-C4'-P energy: -71.052
tors. eta vs tors. theta energy: -192.218
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: 443
Temperature: 1.350000
Total energy: -2015.589336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2015.589336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2029.815989 (E_RNA)
where:
Base-Base interactions energy: -1451.529
where: short stacking energy: -574.381
Base-Backbone interact. energy: 2.122
local terms energy: -580.409108
where:
bonds (distance) C4'-P energy: -107.335
bonds (distance) P-C4' energy: -98.752
flat angles C4'-P-C4' energy: -130.179
flat angles P-C4'-P energy: -77.429
tors. eta vs tors. theta energy: -166.713
Dist. restrs. and SS energy: 14.227 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -2796.292673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2796.292673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2799.321894 (E_RNA)
where:
Base-Base interactions energy: -1952.738
where: short stacking energy: -820.014
Base-Backbone interact. energy: -3.418
local terms energy: -843.166153
where:
bonds (distance) C4'-P energy: -147.510
bonds (distance) P-C4' energy: -151.377
flat angles C4'-P-C4' energy: -180.588
flat angles P-C4'-P energy: -117.730
tors. eta vs tors. theta energy: -245.960
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: 2, replica: 5
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -2677.738633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2677.738633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2685.775300 (E_RNA)
where:
Base-Base interactions energy: -1872.445
where: short stacking energy: -792.846
Base-Backbone interact. energy: -0.399
local terms energy: -812.930767
where:
bonds (distance) C4'-P energy: -144.067
bonds (distance) P-C4' energy: -151.245
flat angles C4'-P-C4' energy: -171.216
flat angles P-C4'-P energy: -108.521
tors. eta vs tors. theta energy: -237.882
Dist. restrs. and SS energy: 8.037 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -2555.228000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2555.228000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2557.560425 (E_RNA)
where:
Base-Base interactions energy: -1799.985
where: short stacking energy: -743.324
Base-Backbone interact. energy: -1.447
local terms energy: -756.128443
where:
bonds (distance) C4'-P energy: -135.342
bonds (distance) P-C4' energy: -133.614
flat angles C4'-P-C4' energy: -161.834
flat angles P-C4'-P energy: -107.772
tors. eta vs tors. theta energy: -217.566
Dist. restrs. and SS energy: 2.332 (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: 8
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -2551.432531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2551.432531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2558.798716 (E_RNA)
where:
Base-Base interactions energy: -1782.741
where: short stacking energy: -764.922
Base-Backbone interact. energy: -4.493
local terms energy: -771.565049
where:
bonds (distance) C4'-P energy: -130.705
bonds (distance) P-C4' energy: -136.838
flat angles C4'-P-C4' energy: -161.940
flat angles P-C4'-P energy: -109.943
tors. eta vs tors. theta energy: -232.138
Dist. restrs. and SS energy: 7.366 (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: 3
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -2453.810224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2453.810224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2460.702568 (E_RNA)
where:
Base-Base interactions energy: -1708.515
where: short stacking energy: -708.687
Base-Backbone interact. energy: -6.353
local terms energy: -745.834463
where:
bonds (distance) C4'-P energy: -123.465
bonds (distance) P-C4' energy: -131.245
flat angles C4'-P-C4' energy: -156.720
flat angles P-C4'-P energy: -104.005
tors. eta vs tors. theta energy: -230.400
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: 6, replica: 10
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -2365.875009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2365.875009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2377.359890 (E_RNA)
where:
Base-Base interactions energy: -1699.916
where: short stacking energy: -705.906
Base-Backbone interact. energy: 4.378
local terms energy: -681.821677
where:
bonds (distance) C4'-P energy: -105.984
bonds (distance) P-C4' energy: -105.197
flat angles C4'-P-C4' energy: -160.359
flat angles P-C4'-P energy: -97.975
tors. eta vs tors. theta energy: -212.306
Dist. restrs. and SS energy: 11.485 (S_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: -2323.241725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2323.241725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2331.574452 (E_RNA)
where:
Base-Base interactions energy: -1642.447
where: short stacking energy: -677.318
Base-Backbone interact. energy: -2.568
local terms energy: -686.559400
where:
bonds (distance) C4'-P energy: -130.967
bonds (distance) P-C4' energy: -116.195
flat angles C4'-P-C4' energy: -148.053
flat angles P-C4'-P energy: -92.196
tors. eta vs tors. theta energy: -199.148
Dist. restrs. and SS energy: 8.333 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -2202.372723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2202.372723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2209.709066 (E_RNA)
where:
Base-Base interactions energy: -1560.965
where: short stacking energy: -658.726
Base-Backbone interact. energy: 5.052
local terms energy: -653.795255
where:
bonds (distance) C4'-P energy: -124.793
bonds (distance) P-C4' energy: -103.823
flat angles C4'-P-C4' energy: -136.458
flat angles P-C4'-P energy: -95.991
tors. eta vs tors. theta energy: -192.730
Dist. restrs. and SS energy: 7.336 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -2041.938080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2041.938080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2059.669470 (E_RNA)
where:
Base-Base interactions energy: -1427.739
where: short stacking energy: -570.191
Base-Backbone interact. energy: -3.788
local terms energy: -628.142977
where:
bonds (distance) C4'-P energy: -116.897
bonds (distance) P-C4' energy: -105.299
flat angles C4'-P-C4' energy: -145.433
flat angles P-C4'-P energy: -89.330
tors. eta vs tors. theta energy: -171.183
Dist. restrs. and SS energy: 17.731 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -2073.972030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2073.972030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2085.624318 (E_RNA)
where:
Base-Base interactions energy: -1476.685
where: short stacking energy: -621.998
Base-Backbone interact. energy: 0.639
local terms energy: -609.578447
where:
bonds (distance) C4'-P energy: -107.574
bonds (distance) P-C4' energy: -104.854
flat angles C4'-P-C4' energy: -128.473
flat angles P-C4'-P energy: -90.989
tors. eta vs tors. theta energy: -177.688
Dist. restrs. and SS energy: 11.652 (S_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: 445
Temperature: 0.900000
Total energy: -2790.983821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2790.983821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2796.457028 (E_RNA)
where:
Base-Base interactions energy: -1973.730
where: short stacking energy: -843.504
Base-Backbone interact. energy: -2.174
local terms energy: -820.552701
where:
bonds (distance) C4'-P energy: -123.617
bonds (distance) P-C4' energy: -149.537
flat angles C4'-P-C4' energy: -171.737
flat angles P-C4'-P energy: -125.160
tors. eta vs tors. theta energy: -250.502
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: 2, replica: 5
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -2670.556850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2670.556850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2679.443236 (E_RNA)
where:
Base-Base interactions energy: -1877.011
where: short stacking energy: -790.380
Base-Backbone interact. energy: -3.030
local terms energy: -799.402150
where:
bonds (distance) C4'-P energy: -146.628
bonds (distance) P-C4' energy: -127.717
flat angles C4'-P-C4' energy: -168.404
flat angles P-C4'-P energy: -115.041
tors. eta vs tors. theta energy: -241.612
Dist. restrs. and SS energy: 8.886 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -2572.006850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2572.006850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2575.332497 (E_RNA)
where:
Base-Base interactions energy: -1798.559
where: short stacking energy: -738.237
Base-Backbone interact. energy: -1.738
local terms energy: -775.035255
where:
bonds (distance) C4'-P energy: -145.018
bonds (distance) P-C4' energy: -149.651
flat angles C4'-P-C4' energy: -158.991
flat angles P-C4'-P energy: -111.159
tors. eta vs tors. theta energy: -210.215
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: 4, replica: 8
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -2535.612715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2535.612715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2543.304575 (E_RNA)
where:
Base-Base interactions energy: -1785.840
where: short stacking energy: -771.253
Base-Backbone interact. energy: -0.107
local terms energy: -757.357286
where:
bonds (distance) C4'-P energy: -126.902
bonds (distance) P-C4' energy: -124.794
flat angles C4'-P-C4' energy: -156.669
flat angles P-C4'-P energy: -119.912
tors. eta vs tors. theta energy: -229.079
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: 5, replica: 3
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -2420.302308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2420.302308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2426.454116 (E_RNA)
where:
Base-Base interactions energy: -1698.779
where: short stacking energy: -734.584
Base-Backbone interact. energy: 5.158
local terms energy: -732.833468
where:
bonds (distance) C4'-P energy: -119.216
bonds (distance) P-C4' energy: -135.247
flat angles C4'-P-C4' energy: -155.088
flat angles P-C4'-P energy: -98.764
tors. eta vs tors. theta energy: -224.518
Dist. restrs. and SS energy: 6.152 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -2434.626993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2434.626993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2439.459395 (E_RNA)
where:
Base-Base interactions energy: -1715.921
where: short stacking energy: -745.247
Base-Backbone interact. energy: -1.525
local terms energy: -722.013140
where:
bonds (distance) C4'-P energy: -142.534
bonds (distance) P-C4' energy: -115.155
flat angles C4'-P-C4' energy: -152.410
flat angles P-C4'-P energy: -88.626
tors. eta vs tors. theta energy: -223.289
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: 7, replica: 10
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -2283.182961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2283.182961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2288.944322 (E_RNA)
where:
Base-Base interactions energy: -1609.299
where: short stacking energy: -682.621
Base-Backbone interact. energy: 1.212
local terms energy: -680.857392
where:
bonds (distance) C4'-P energy: -123.180
bonds (distance) P-C4' energy: -129.805
flat angles C4'-P-C4' energy: -143.683
flat angles P-C4'-P energy: -77.430
tors. eta vs tors. theta energy: -206.759
Dist. restrs. and SS energy: 5.761 (S_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: 445
Temperature: 1.250000
Total energy: -2230.959983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2230.959983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2237.250656 (E_RNA)
where:
Base-Base interactions energy: -1560.336
where: short stacking energy: -655.799
Base-Backbone interact. energy: 1.523
local terms energy: -678.436922
where:
bonds (distance) C4'-P energy: -130.273
bonds (distance) P-C4' energy: -125.182
flat angles C4'-P-C4' energy: -139.013
flat angles P-C4'-P energy: -79.727
tors. eta vs tors. theta energy: -204.242
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: 9, replica: 4
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -2021.112805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2021.112805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2035.042367 (E_RNA)
where:
Base-Base interactions energy: -1411.083
where: short stacking energy: -581.885
Base-Backbone interact. energy: -3.451
local terms energy: -620.508827
where:
bonds (distance) C4'-P energy: -102.867
bonds (distance) P-C4' energy: -145.807
flat angles C4'-P-C4' energy: -133.991
flat angles P-C4'-P energy: -71.551
tors. eta vs tors. theta energy: -166.293
Dist. restrs. and SS energy: 13.930 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -2036.979405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2036.979405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2052.592493 (E_RNA)
where:
Base-Base interactions energy: -1464.400
where: short stacking energy: -629.599
Base-Backbone interact. energy: -2.324
local terms energy: -585.868893
where:
bonds (distance) C4'-P energy: -94.243
bonds (distance) P-C4' energy: -112.793
flat angles C4'-P-C4' energy: -117.241
flat angles P-C4'-P energy: -72.189
tors. eta vs tors. theta energy: -189.402
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: 1, replica: 2
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -2796.351364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2796.351364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2798.059652 (E_RNA)
where:
Base-Base interactions energy: -1958.077
where: short stacking energy: -815.049
Base-Backbone interact. energy: -1.930
local terms energy: -838.051993
where:
bonds (distance) C4'-P energy: -147.373
bonds (distance) P-C4' energy: -151.243
flat angles C4'-P-C4' energy: -172.573
flat angles P-C4'-P energy: -107.784
tors. eta vs tors. theta energy: -259.079
Dist. restrs. and SS energy: 1.708 (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: 5
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -2672.953544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2672.953544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2679.156190 (E_RNA)
where:
Base-Base interactions energy: -1868.683
where: short stacking energy: -791.694
Base-Backbone interact. energy: 0.526
local terms energy: -810.999820
where:
bonds (distance) C4'-P energy: -147.802
bonds (distance) P-C4' energy: -144.009
flat angles C4'-P-C4' energy: -167.996
flat angles P-C4'-P energy: -112.711
tors. eta vs tors. theta energy: -238.482
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: 3, replica: 8
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -2582.085559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2582.085559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2588.789633 (E_RNA)
where:
Base-Base interactions energy: -1803.543
where: short stacking energy: -770.678
Base-Backbone interact. energy: -2.534
local terms energy: -782.712749
where:
bonds (distance) C4'-P energy: -140.249
bonds (distance) P-C4' energy: -129.908
flat angles C4'-P-C4' energy: -170.667
flat angles P-C4'-P energy: -114.577
tors. eta vs tors. theta energy: -227.312
Dist. restrs. and SS energy: 6.704 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -2539.790386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2539.790386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2543.890818 (E_RNA)
where:
Base-Base interactions energy: -1804.445
where: short stacking energy: -752.787
Base-Backbone interact. energy: -2.304
local terms energy: -737.142130
where:
bonds (distance) C4'-P energy: -120.348
bonds (distance) P-C4' energy: -133.686
flat angles C4'-P-C4' energy: -158.633
flat angles P-C4'-P energy: -107.008
tors. eta vs tors. theta energy: -217.467
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: 3
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -2434.716611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2434.716611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2442.820082 (E_RNA)
where:
Base-Base interactions energy: -1713.249
where: short stacking energy: -715.832
Base-Backbone interact. energy: 4.947
local terms energy: -734.517301
where:
bonds (distance) C4'-P energy: -127.063
bonds (distance) P-C4' energy: -136.257
flat angles C4'-P-C4' energy: -147.711
flat angles P-C4'-P energy: -99.307
tors. eta vs tors. theta energy: -224.180
Dist. restrs. and SS energy: 8.103 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -2383.776961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2383.776961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2388.776328 (E_RNA)
where:
Base-Base interactions energy: -1656.333
where: short stacking energy: -714.872
Base-Backbone interact. energy: -1.331
local terms energy: -731.112673
where:
bonds (distance) C4'-P energy: -115.712
bonds (distance) P-C4' energy: -147.102
flat angles C4'-P-C4' energy: -155.748
flat angles P-C4'-P energy: -94.312
tors. eta vs tors. theta energy: -218.240
Dist. restrs. and SS energy: 4.999 (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: 7
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -2283.883913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2283.883913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2290.155689 (E_RNA)
where:
Base-Base interactions energy: -1585.421
where: short stacking energy: -664.918
Base-Backbone interact. energy: -4.863
local terms energy: -699.871309
where:
bonds (distance) C4'-P energy: -133.682
bonds (distance) P-C4' energy: -108.390
flat angles C4'-P-C4' energy: -152.836
flat angles P-C4'-P energy: -105.609
tors. eta vs tors. theta energy: -199.355
Dist. restrs. and SS energy: 6.272 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -2216.100446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2216.100446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2224.785521 (E_RNA)
where:
Base-Base interactions energy: -1583.419
where: short stacking energy: -662.339
Base-Backbone interact. energy: -0.648
local terms energy: -640.719268
where:
bonds (distance) C4'-P energy: -102.671
bonds (distance) P-C4' energy: -108.270
flat angles C4'-P-C4' energy: -135.342
flat angles P-C4'-P energy: -106.752
tors. eta vs tors. theta energy: -187.684
Dist. restrs. and SS energy: 8.685 (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: 6
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -2071.008320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2071.008320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2080.361512 (E_RNA)
where:
Base-Base interactions energy: -1461.272
where: short stacking energy: -582.785
Base-Backbone interact. energy: -3.077
local terms energy: -616.012094
where:
bonds (distance) C4'-P energy: -115.486
bonds (distance) P-C4' energy: -112.708
flat angles C4'-P-C4' energy: -135.887
flat angles P-C4'-P energy: -72.315
tors. eta vs tors. theta energy: -179.617
Dist. restrs. and SS energy: 9.353 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -2031.464360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2031.464360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2051.886163 (E_RNA)
where:
Base-Base interactions energy: -1448.932
where: short stacking energy: -599.287
Base-Backbone interact. energy: -2.418
local terms energy: -600.536593
where:
bonds (distance) C4'-P energy: -104.548
bonds (distance) P-C4' energy: -112.850
flat angles C4'-P-C4' energy: -135.136
flat angles P-C4'-P energy: -79.121
tors. eta vs tors. theta energy: -168.881
Dist. restrs. and SS energy: 20.422 (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: 2
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -2814.063713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2814.063713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2819.172122 (E_RNA)
where:
Base-Base interactions energy: -1983.353
where: short stacking energy: -847.941
Base-Backbone interact. energy: -1.860
local terms energy: -833.959089
where:
bonds (distance) C4'-P energy: -145.519
bonds (distance) P-C4' energy: -144.146
flat angles C4'-P-C4' energy: -163.713
flat angles P-C4'-P energy: -130.001
tors. eta vs tors. theta energy: -250.580
Dist. restrs. and SS energy: 5.108 (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: 5
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -2669.762103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2669.762103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2674.197945 (E_RNA)
where:
Base-Base interactions energy: -1873.132
where: short stacking energy: -803.569
Base-Backbone interact. energy: -0.314
local terms energy: -800.751546
where:
bonds (distance) C4'-P energy: -143.566
bonds (distance) P-C4' energy: -142.279
flat angles C4'-P-C4' energy: -169.026
flat angles P-C4'-P energy: -113.926
tors. eta vs tors. theta energy: -231.954
Dist. restrs. and SS energy: 4.436 (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: 8
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -2595.312118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2595.312118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2601.155921 (E_RNA)
where:
Base-Base interactions energy: -1846.818
where: short stacking energy: -783.568
Base-Backbone interact. energy: 0.584
local terms energy: -754.921864
where:
bonds (distance) C4'-P energy: -114.963
bonds (distance) P-C4' energy: -136.697
flat angles C4'-P-C4' energy: -162.458
flat angles P-C4'-P energy: -107.275
tors. eta vs tors. theta energy: -233.529
Dist. restrs. and SS energy: 5.844 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -2544.568628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2544.568628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2546.721544 (E_RNA)
where:
Base-Base interactions energy: -1787.600
where: short stacking energy: -752.085
Base-Backbone interact. energy: -5.404
local terms energy: -753.717037
where:
bonds (distance) C4'-P energy: -130.887
bonds (distance) P-C4' energy: -140.999
flat angles C4'-P-C4' energy: -153.794
flat angles P-C4'-P energy: -107.042
tors. eta vs tors. theta energy: -220.995
Dist. restrs. and SS energy: 2.153 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -2426.659441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2426.659441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2433.973743 (E_RNA)
where:
Base-Base interactions energy: -1702.159
where: short stacking energy: -715.309
Base-Backbone interact. energy: 0.182
local terms energy: -731.996923
where:
bonds (distance) C4'-P energy: -116.982
bonds (distance) P-C4' energy: -134.863
flat angles C4'-P-C4' energy: -166.649
flat angles P-C4'-P energy: -102.970
tors. eta vs tors. theta energy: -210.534
Dist. restrs. and SS energy: 7.314 (S_DIST_RNA)
chem. 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: -2390.431924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2390.431924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2394.072237 (E_RNA)
where:
Base-Base interactions energy: -1660.318
where: short stacking energy: -696.155
Base-Backbone interact. energy: -2.036
local terms energy: -731.718174
where:
bonds (distance) C4'-P energy: -132.154
bonds (distance) P-C4' energy: -127.196
flat angles C4'-P-C4' energy: -154.782
flat angles P-C4'-P energy: -104.076
tors. eta vs tors. theta energy: -213.509
Dist. restrs. and SS energy: 3.640 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -2293.757066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2293.757066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2306.441903 (E_RNA)
where:
Base-Base interactions energy: -1622.445
where: short stacking energy: -692.299
Base-Backbone interact. energy: -0.855
local terms energy: -683.141665
where:
bonds (distance) C4'-P energy: -107.330
bonds (distance) P-C4' energy: -126.470
flat angles C4'-P-C4' energy: -142.973
flat angles P-C4'-P energy: -104.538
tors. eta vs tors. theta energy: -201.832
Dist. restrs. and SS energy: 12.685 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -2249.485695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2249.485695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2260.626720 (E_RNA)
where:
Base-Base interactions energy: -1589.479
where: short stacking energy: -662.241
Base-Backbone interact. energy: -0.588
local terms energy: -670.559986
where:
bonds (distance) C4'-P energy: -116.940
bonds (distance) P-C4' energy: -123.199
flat angles C4'-P-C4' energy: -147.249
flat angles P-C4'-P energy: -89.257
tors. eta vs tors. theta energy: -193.915
Dist. restrs. and SS energy: 11.141 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -2068.475308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2068.475308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2089.333858 (E_RNA)
where:
Base-Base interactions energy: -1424.680
where: short stacking energy: -583.280
Base-Backbone interact. energy: -2.006
local terms energy: -662.647398
where:
bonds (distance) C4'-P energy: -125.634
bonds (distance) P-C4' energy: -134.630
flat angles C4'-P-C4' energy: -137.292
flat angles P-C4'-P energy: -96.203
tors. eta vs tors. theta energy: -168.888
Dist. restrs. and SS energy: 20.859 (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: 4
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -2041.719294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2041.719294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2059.283907 (E_RNA)
where:
Base-Base interactions energy: -1441.879
where: short stacking energy: -607.599
Base-Backbone interact. energy: -4.263
local terms energy: -613.142274
where:
bonds (distance) C4'-P energy: -104.272
bonds (distance) P-C4' energy: -101.060
flat angles C4'-P-C4' energy: -133.620
flat angles P-C4'-P energy: -85.210
tors. eta vs tors. theta energy: -188.980
Dist. restrs. and SS energy: 17.565 (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: 2
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -2823.026575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2823.026575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2827.799609 (E_RNA)
where:
Base-Base interactions energy: -1973.823
where: short stacking energy: -828.403
Base-Backbone interact. energy: -0.286
local terms energy: -853.690177
where:
bonds (distance) C4'-P energy: -141.273
bonds (distance) P-C4' energy: -160.952
flat angles C4'-P-C4' energy: -176.770
flat angles P-C4'-P energy: -125.866
tors. eta vs tors. theta energy: -248.829
Dist. restrs. and SS energy: 4.773 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -2716.780954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2716.780954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2722.481318 (E_RNA)
where:
Base-Base interactions energy: -1883.104
where: short stacking energy: -799.156
Base-Backbone interact. energy: -2.169
local terms energy: -837.208313
where:
bonds (distance) C4'-P energy: -144.735
bonds (distance) P-C4' energy: -143.035
flat angles C4'-P-C4' energy: -178.257
flat angles P-C4'-P energy: -124.310
tors. eta vs tors. theta energy: -246.871
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: 1
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -2590.473110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2590.473110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2593.025165 (E_RNA)
where:
Base-Base interactions energy: -1804.955
where: short stacking energy: -756.371
Base-Backbone interact. energy: -3.736
local terms energy: -784.334001
where:
bonds (distance) C4'-P energy: -140.530
bonds (distance) P-C4' energy: -151.509
flat angles C4'-P-C4' energy: -174.465
flat angles P-C4'-P energy: -106.604
tors. eta vs tors. theta energy: -211.226
Dist. restrs. and SS energy: 2.552 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -2547.211302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2547.211302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2551.806863 (E_RNA)
where:
Base-Base interactions energy: -1778.149
where: short stacking energy: -759.172
Base-Backbone interact. energy: -0.984
local terms energy: -772.674057
where:
bonds (distance) C4'-P energy: -124.218
bonds (distance) P-C4' energy: -147.034
flat angles C4'-P-C4' energy: -157.526
flat angles P-C4'-P energy: -114.610
tors. eta vs tors. theta energy: -229.287
Dist. restrs. and SS energy: 4.596 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -2457.315905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2457.315905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2466.526526 (E_RNA)
where:
Base-Base interactions energy: -1709.958
where: short stacking energy: -718.638
Base-Backbone interact. energy: -0.598
local terms energy: -755.970797
where:
bonds (distance) C4'-P energy: -134.298
bonds (distance) P-C4' energy: -131.543
flat angles C4'-P-C4' energy: -165.983
flat angles P-C4'-P energy: -105.459
tors. eta vs tors. theta energy: -218.688
Dist. restrs. and SS energy: 9.211 (S_DIST_RNA)
chem. 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: -2352.716563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2352.716563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2357.805542 (E_RNA)
where:
Base-Base interactions energy: -1654.679
where: short stacking energy: -681.317
Base-Backbone interact. energy: -2.014
local terms energy: -701.112830
where:
bonds (distance) C4'-P energy: -134.652
bonds (distance) P-C4' energy: -128.506
flat angles C4'-P-C4' energy: -155.956
flat angles P-C4'-P energy: -89.996
tors. eta vs tors. theta energy: -192.003
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: 7, replica: 7
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -2268.784850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2268.784850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2277.780967 (E_RNA)
where:
Base-Base interactions energy: -1603.848
where: short stacking energy: -693.616
Base-Backbone interact. energy: -3.923
local terms energy: -670.010363
where:
bonds (distance) C4'-P energy: -113.770
bonds (distance) P-C4' energy: -124.758
flat angles C4'-P-C4' energy: -141.732
flat angles P-C4'-P energy: -86.295
tors. eta vs tors. theta energy: -203.456
Dist. restrs. and SS energy: 8.996 (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: 10
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -2237.086784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2237.086784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2244.851437 (E_RNA)
where:
Base-Base interactions energy: -1575.583
where: short stacking energy: -664.648
Base-Backbone interact. energy: -1.405
local terms energy: -667.863870
where:
bonds (distance) C4'-P energy: -113.923
bonds (distance) P-C4' energy: -128.116
flat angles C4'-P-C4' energy: -144.139
flat angles P-C4'-P energy: -92.347
tors. eta vs tors. theta energy: -189.337
Dist. restrs. and SS energy: 7.765 (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: 6
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -2113.812197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2113.812197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2123.595003 (E_RNA)
where:
Base-Base interactions energy: -1501.598
where: short stacking energy: -621.868
Base-Backbone interact. energy: -2.562
local terms energy: -619.435861
where:
bonds (distance) C4'-P energy: -111.958
bonds (distance) P-C4' energy: -110.323
flat angles C4'-P-C4' energy: -151.422
flat angles P-C4'-P energy: -77.213
tors. eta vs tors. theta energy: -168.520
Dist. restrs. and SS energy: 9.783 (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: 4
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -1957.656049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1957.656049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1979.470892 (E_RNA)
where:
Base-Base interactions energy: -1407.066
where: short stacking energy: -585.627
Base-Backbone interact. energy: -4.302
local terms energy: -568.102979
where:
bonds (distance) C4'-P energy: -88.503
bonds (distance) P-C4' energy: -114.885
flat angles C4'-P-C4' energy: -134.571
flat angles P-C4'-P energy: -74.488
tors. eta vs tors. theta energy: -155.656
Dist. restrs. and SS energy: 21.815 (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: 2
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -2799.412849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2799.412849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2802.557003 (E_RNA)
where:
Base-Base interactions energy: -1958.529
where: short stacking energy: -841.438
Base-Backbone interact. energy: -0.934
local terms energy: -843.093872
where:
bonds (distance) C4'-P energy: -143.094
bonds (distance) P-C4' energy: -155.623
flat angles C4'-P-C4' energy: -171.471
flat angles P-C4'-P energy: -119.474
tors. eta vs tors. theta energy: -253.432
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: 2, replica: 5
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -2700.760351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2700.760351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2707.566691 (E_RNA)
where:
Base-Base interactions energy: -1915.462
where: short stacking energy: -810.136
Base-Backbone interact. energy: -2.357
local terms energy: -789.748086
where:
bonds (distance) C4'-P energy: -129.970
bonds (distance) P-C4' energy: -140.863
flat angles C4'-P-C4' energy: -165.717
flat angles P-C4'-P energy: -117.918
tors. eta vs tors. theta energy: -235.280
Dist. restrs. and SS energy: 6.806 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -2588.254235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2588.254235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2592.302475 (E_RNA)
where:
Base-Base interactions energy: -1812.266
where: short stacking energy: -764.338
Base-Backbone interact. energy: -0.499
local terms energy: -779.538006
where:
bonds (distance) C4'-P energy: -146.118
bonds (distance) P-C4' energy: -147.006
flat angles C4'-P-C4' energy: -163.996
flat angles P-C4'-P energy: -104.640
tors. eta vs tors. theta energy: -217.778
Dist. restrs. and SS energy: 4.048 (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: 8
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -2542.855125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2542.855125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2547.782725 (E_RNA)
where:
Base-Base interactions energy: -1780.021
where: short stacking energy: -759.019
Base-Backbone interact. energy: -1.583
local terms energy: -766.178760
where:
bonds (distance) C4'-P energy: -133.463
bonds (distance) P-C4' energy: -122.917
flat angles C4'-P-C4' energy: -156.349
flat angles P-C4'-P energy: -113.892
tors. eta vs tors. theta energy: -239.558
Dist. restrs. and SS energy: 4.928 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -2450.378875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2450.378875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2458.884778 (E_RNA)
where:
Base-Base interactions energy: -1714.041
where: short stacking energy: -736.683
Base-Backbone interact. energy: 6.869
local terms energy: -751.712676
where:
bonds (distance) C4'-P energy: -130.969
bonds (distance) P-C4' energy: -125.157
flat angles C4'-P-C4' energy: -159.042
flat angles P-C4'-P energy: -114.383
tors. eta vs tors. theta energy: -222.162
Dist. restrs. and SS energy: 8.506 (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: 449
Temperature: 1.150000
Total energy: -2360.703969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2360.703969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2364.268741 (E_RNA)
where:
Base-Base interactions energy: -1664.229
where: short stacking energy: -700.608
Base-Backbone interact. energy: -0.709
local terms energy: -699.330073
where:
bonds (distance) C4'-P energy: -115.169
bonds (distance) P-C4' energy: -127.498
flat angles C4'-P-C4' energy: -150.428
flat angles P-C4'-P energy: -95.215
tors. eta vs tors. theta energy: -211.020
Dist. restrs. and SS energy: 3.565 (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: 7
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -2299.331957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2299.331957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2306.894547 (E_RNA)
where:
Base-Base interactions energy: -1625.629
where: short stacking energy: -676.645
Base-Backbone interact. energy: 0.098
local terms energy: -681.363724
where:
bonds (distance) C4'-P energy: -119.168
bonds (distance) P-C4' energy: -121.863
flat angles C4'-P-C4' energy: -149.630
flat angles P-C4'-P energy: -90.623
tors. eta vs tors. theta energy: -200.080
Dist. restrs. and SS energy: 7.563 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -2216.933404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2216.933404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2230.311331 (E_RNA)
where:
Base-Base interactions energy: -1582.175
where: short stacking energy: -658.694
Base-Backbone interact. energy: -2.727
local terms energy: -645.409422
where:
bonds (distance) C4'-P energy: -122.234
bonds (distance) P-C4' energy: -113.899
flat angles C4'-P-C4' energy: -134.564
flat angles P-C4'-P energy: -86.085
tors. eta vs tors. theta energy: -188.627
Dist. restrs. and SS energy: 13.378 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -2123.807442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2123.807442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2135.855368 (E_RNA)
where:
Base-Base interactions energy: -1495.369
where: short stacking energy: -610.401
Base-Backbone interact. energy: -3.249
local terms energy: -637.237060
where:
bonds (distance) C4'-P energy: -116.891
bonds (distance) P-C4' energy: -126.253
flat angles C4'-P-C4' energy: -140.142
flat angles P-C4'-P energy: -88.168
tors. eta vs tors. theta energy: -165.783
Dist. restrs. and SS energy: 12.048 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -1995.905992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1995.905992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2018.108181 (E_RNA)
where:
Base-Base interactions energy: -1401.737
where: short stacking energy: -597.399
Base-Backbone interact. energy: 1.544
local terms energy: -617.914545
where:
bonds (distance) C4'-P energy: -97.572
bonds (distance) P-C4' energy: -120.571
flat angles C4'-P-C4' energy: -127.724
flat angles P-C4'-P energy: -98.396
tors. eta vs tors. theta energy: -173.651
Dist. restrs. and SS energy: 22.202 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -2811.201334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2811.201334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2812.912230 (E_RNA)
where:
Base-Base interactions energy: -1961.848
where: short stacking energy: -822.653
Base-Backbone interact. energy: -3.528
local terms energy: -847.536668
where:
bonds (distance) C4'-P energy: -155.756
bonds (distance) P-C4' energy: -155.899
flat angles C4'-P-C4' energy: -167.482
flat angles P-C4'-P energy: -116.254
tors. eta vs tors. theta energy: -252.146
Dist. restrs. and SS energy: 1.711 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -2691.162602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2691.162602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2700.067721 (E_RNA)
where:
Base-Base interactions energy: -1880.798
where: short stacking energy: -786.800
Base-Backbone interact. energy: -3.787
local terms energy: -815.482782
where:
bonds (distance) C4'-P energy: -127.153
bonds (distance) P-C4' energy: -157.213
flat angles C4'-P-C4' energy: -169.775
flat angles P-C4'-P energy: -121.051
tors. eta vs tors. theta energy: -240.291
Dist. restrs. and SS energy: 8.905 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -2570.077238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2570.077238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2573.320674 (E_RNA)
where:
Base-Base interactions energy: -1802.468
where: short stacking energy: -780.217
Base-Backbone interact. energy: 0.343
local terms energy: -771.195660
where:
bonds (distance) C4'-P energy: -133.333
bonds (distance) P-C4' energy: -120.779
flat angles C4'-P-C4' energy: -178.382
flat angles P-C4'-P energy: -103.770
tors. eta vs tors. theta energy: -234.931
Dist. restrs. and SS energy: 3.243 (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: 1
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -2578.335713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2578.335713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2581.213458 (E_RNA)
where:
Base-Base interactions energy: -1801.339
where: short stacking energy: -757.679
Base-Backbone interact. energy: -3.864
local terms energy: -776.010158
where:
bonds (distance) C4'-P energy: -126.795
bonds (distance) P-C4' energy: -155.376
flat angles C4'-P-C4' energy: -163.490
flat angles P-C4'-P energy: -111.155
tors. eta vs tors. theta energy: -219.194
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: 3
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -2411.427385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2411.427385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2418.871401 (E_RNA)
where:
Base-Base interactions energy: -1696.201
where: short stacking energy: -717.867
Base-Backbone interact. energy: 0.202
local terms energy: -722.872482
where:
bonds (distance) C4'-P energy: -107.091
bonds (distance) P-C4' energy: -141.000
flat angles C4'-P-C4' energy: -156.649
flat angles P-C4'-P energy: -105.558
tors. eta vs tors. theta energy: -212.574
Dist. restrs. and SS energy: 7.444 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -2321.732662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2321.732662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2329.936710 (E_RNA)
where:
Base-Base interactions energy: -1638.901
where: short stacking energy: -666.520
Base-Backbone interact. energy: -4.127
local terms energy: -686.908881
where:
bonds (distance) C4'-P energy: -120.156
bonds (distance) P-C4' energy: -115.361
flat angles C4'-P-C4' energy: -156.063
flat angles P-C4'-P energy: -96.539
tors. eta vs tors. theta energy: -198.790
Dist. restrs. and SS energy: 8.204 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -2242.018062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2242.018062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2252.926634 (E_RNA)
where:
Base-Base interactions energy: -1613.227
where: short stacking energy: -700.520
Base-Backbone interact. energy: -2.082
local terms energy: -637.617945
where:
bonds (distance) C4'-P energy: -117.058
bonds (distance) P-C4' energy: -110.654
flat angles C4'-P-C4' energy: -125.139
flat angles P-C4'-P energy: -79.201
tors. eta vs tors. theta energy: -205.566
Dist. restrs. and SS energy: 10.909 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -2256.134027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2256.134027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2268.159199 (E_RNA)
where:
Base-Base interactions energy: -1623.616
where: short stacking energy: -685.604
Base-Backbone interact. energy: 9.296
local terms energy: -653.839746
where:
bonds (distance) C4'-P energy: -96.305
bonds (distance) P-C4' energy: -127.858
flat angles C4'-P-C4' energy: -158.384
flat angles P-C4'-P energy: -81.165
tors. eta vs tors. theta energy: -190.128
Dist. restrs. and SS energy: 12.025 (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: 6
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -2117.680694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2117.680694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2129.637659 (E_RNA)
where:
Base-Base interactions energy: -1527.207
where: short stacking energy: -643.153
Base-Backbone interact. energy: -2.009
local terms energy: -600.421117
where:
bonds (distance) C4'-P energy: -103.905
bonds (distance) P-C4' energy: -105.039
flat angles C4'-P-C4' energy: -129.591
flat angles P-C4'-P energy: -72.975
tors. eta vs tors. theta energy: -188.912
Dist. restrs. and SS energy: 11.957 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -2013.923022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2013.923022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2027.687394 (E_RNA)
where:
Base-Base interactions energy: -1413.403
where: short stacking energy: -626.557
Base-Backbone interact. energy: 1.344
local terms energy: -615.628513
where:
bonds (distance) C4'-P energy: -103.345
bonds (distance) P-C4' energy: -121.209
flat angles C4'-P-C4' energy: -130.786
flat angles P-C4'-P energy: -80.651
tors. eta vs tors. theta energy: -179.638
Dist. restrs. and SS energy: 13.764 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -2802.106554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2802.106554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2804.914903 (E_RNA)
where:
Base-Base interactions energy: -1969.844
where: short stacking energy: -829.151
Base-Backbone interact. energy: -2.025
local terms energy: -833.045060
where:
bonds (distance) C4'-P energy: -133.305
bonds (distance) P-C4' energy: -148.722
flat angles C4'-P-C4' energy: -179.536
flat angles P-C4'-P energy: -116.825
tors. eta vs tors. theta energy: -254.657
Dist. restrs. and SS energy: 2.808 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -2665.092819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2665.092819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2670.955020 (E_RNA)
where:
Base-Base interactions energy: -1854.482
where: short stacking energy: -795.344
Base-Backbone interact. energy: -5.394
local terms energy: -811.079470
where:
bonds (distance) C4'-P energy: -156.077
bonds (distance) P-C4' energy: -122.974
flat angles C4'-P-C4' energy: -176.634
flat angles P-C4'-P energy: -112.660
tors. eta vs tors. theta energy: -242.735
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: 3, replica: 8
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -2606.048765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2606.048765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2610.529264 (E_RNA)
where:
Base-Base interactions energy: -1822.967
where: short stacking energy: -779.032
Base-Backbone interact. energy: -3.369
local terms energy: -784.193584
where:
bonds (distance) C4'-P energy: -138.199
bonds (distance) P-C4' energy: -133.489
flat angles C4'-P-C4' energy: -156.438
flat angles P-C4'-P energy: -114.469
tors. eta vs tors. theta energy: -241.598
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: 4, replica: 1
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -2535.360304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2535.360304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2543.531137 (E_RNA)
where:
Base-Base interactions energy: -1761.830
where: short stacking energy: -736.650
Base-Backbone interact. energy: -1.191
local terms energy: -780.510282
where:
bonds (distance) C4'-P energy: -128.875
bonds (distance) P-C4' energy: -162.202
flat angles C4'-P-C4' energy: -159.015
flat angles P-C4'-P energy: -113.892
tors. eta vs tors. theta energy: -216.527
Dist. restrs. and SS energy: 8.171 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -2421.916885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2421.916885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2427.105509 (E_RNA)
where:
Base-Base interactions energy: -1722.702
where: short stacking energy: -746.237
Base-Backbone interact. energy: -4.249
local terms energy: -700.154148
where:
bonds (distance) C4'-P energy: -111.846
bonds (distance) P-C4' energy: -124.432
flat angles C4'-P-C4' energy: -150.503
flat angles P-C4'-P energy: -95.056
tors. eta vs tors. theta energy: -218.318
Dist. restrs. and SS energy: 5.189 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -2366.635267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2366.635267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2378.772706 (E_RNA)
where:
Base-Base interactions energy: -1658.292
where: short stacking energy: -739.262
Base-Backbone interact. energy: -0.495
local terms energy: -719.985914
where:
bonds (distance) C4'-P energy: -129.299
bonds (distance) P-C4' energy: -136.182
flat angles C4'-P-C4' energy: -146.500
flat angles P-C4'-P energy: -91.606
tors. eta vs tors. theta energy: -216.399
Dist. restrs. and SS energy: 12.137 (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: 451
Temperature: 1.200000
Total energy: -2277.676093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2277.676093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2285.578383 (E_RNA)
where:
Base-Base interactions energy: -1609.163
where: short stacking energy: -691.403
Base-Backbone interact. energy: -1.147
local terms energy: -675.268833
where:
bonds (distance) C4'-P energy: -111.551
bonds (distance) P-C4' energy: -121.273
flat angles C4'-P-C4' energy: -142.738
flat angles P-C4'-P energy: -94.837
tors. eta vs tors. theta energy: -204.870
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: 8, replica: 7
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -2198.916774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2198.916774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2205.916789 (E_RNA)
where:
Base-Base interactions energy: -1535.007
where: short stacking energy: -642.512
Base-Backbone interact. energy: -0.813
local terms energy: -670.096208
where:
bonds (distance) C4'-P energy: -119.453
bonds (distance) P-C4' energy: -139.443
flat angles C4'-P-C4' energy: -145.828
flat angles P-C4'-P energy: -81.336
tors. eta vs tors. theta energy: -184.036
Dist. restrs. and SS energy: 7.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -2071.932520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2071.932520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2086.925716 (E_RNA)
where:
Base-Base interactions energy: -1469.654
where: short stacking energy: -590.344
Base-Backbone interact. energy: -3.041
local terms energy: -614.230409
where:
bonds (distance) C4'-P energy: -100.616
bonds (distance) P-C4' energy: -110.065
flat angles C4'-P-C4' energy: -136.587
flat angles P-C4'-P energy: -94.339
tors. eta vs tors. theta energy: -172.623
Dist. restrs. and SS energy: 14.993 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -1967.146795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1967.146795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1982.134095 (E_RNA)
where:
Base-Base interactions energy: -1410.439
where: short stacking energy: -574.963
Base-Backbone interact. energy: 1.419
local terms energy: -573.114563
where:
bonds (distance) C4'-P energy: -86.121
bonds (distance) P-C4' energy: -114.152
flat angles C4'-P-C4' energy: -146.879
flat angles P-C4'-P energy: -71.531
tors. eta vs tors. theta energy: -154.432
Dist. restrs. and SS energy: 14.987 (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: 2
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -2803.386405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2803.386405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2807.018272 (E_RNA)
where:
Base-Base interactions energy: -1970.125
where: short stacking energy: -812.203
Base-Backbone interact. energy: -3.262
local terms energy: -833.631536
where:
bonds (distance) C4'-P energy: -134.849
bonds (distance) P-C4' energy: -157.603
flat angles C4'-P-C4' energy: -177.535
flat angles P-C4'-P energy: -120.587
tors. eta vs tors. theta energy: -243.056
Dist. restrs. and SS energy: 3.632 (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: 5
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -2668.136204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2668.136204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2675.497837 (E_RNA)
where:
Base-Base interactions energy: -1898.968
where: short stacking energy: -808.570
Base-Backbone interact. energy: 1.969
local terms energy: -778.499135
where:
bonds (distance) C4'-P energy: -116.167
bonds (distance) P-C4' energy: -155.536
flat angles C4'-P-C4' energy: -165.184
flat angles P-C4'-P energy: -94.329
tors. eta vs tors. theta energy: -247.283
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: 3, replica: 8
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -2599.769522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2599.769522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2602.679644 (E_RNA)
where:
Base-Base interactions energy: -1815.071
where: short stacking energy: -784.455
Base-Backbone interact. energy: -2.581
local terms energy: -785.028185
where:
bonds (distance) C4'-P energy: -129.603
bonds (distance) P-C4' energy: -146.755
flat angles C4'-P-C4' energy: -160.194
flat angles P-C4'-P energy: -109.940
tors. eta vs tors. theta energy: -238.536
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: 1
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -2531.208502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2531.208502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2536.447637 (E_RNA)
where:
Base-Base interactions energy: -1760.501
where: short stacking energy: -720.699
Base-Backbone interact. energy: -2.626
local terms energy: -773.320001
where:
bonds (distance) C4'-P energy: -143.944
bonds (distance) P-C4' energy: -139.676
flat angles C4'-P-C4' energy: -154.752
flat angles P-C4'-P energy: -118.851
tors. eta vs tors. theta energy: -216.098
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: 5, replica: 3
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -2444.160450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2444.160450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2453.308919 (E_RNA)
where:
Base-Base interactions energy: -1716.183
where: short stacking energy: -721.286
Base-Backbone interact. energy: -0.896
local terms energy: -736.229826
where:
bonds (distance) C4'-P energy: -123.864
bonds (distance) P-C4' energy: -134.209
flat angles C4'-P-C4' energy: -166.718
flat angles P-C4'-P energy: -98.446
tors. eta vs tors. theta energy: -212.992
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: 6, replica: 9
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -2362.108499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2362.108499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2369.163186 (E_RNA)
where:
Base-Base interactions energy: -1696.171
where: short stacking energy: -708.418
Base-Backbone interact. energy: -0.089
local terms energy: -672.902611
where:
bonds (distance) C4'-P energy: -124.416
bonds (distance) P-C4' energy: -110.178
flat angles C4'-P-C4' energy: -141.727
flat angles P-C4'-P energy: -89.611
tors. eta vs tors. theta energy: -206.971
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: 7, replica: 10
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -2284.986954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2284.986954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2294.168492 (E_RNA)
where:
Base-Base interactions energy: -1624.545
where: short stacking energy: -689.607
Base-Backbone interact. energy: -1.425
local terms energy: -668.198841
where:
bonds (distance) C4'-P energy: -98.043
bonds (distance) P-C4' energy: -124.070
flat angles C4'-P-C4' energy: -150.880
flat angles P-C4'-P energy: -94.167
tors. eta vs tors. theta energy: -201.039
Dist. restrs. and SS energy: 9.182 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -2195.634313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2195.634313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2207.609124 (E_RNA)
where:
Base-Base interactions energy: -1565.456
where: short stacking energy: -637.555
Base-Backbone interact. energy: -0.014
local terms energy: -642.139254
where:
bonds (distance) C4'-P energy: -122.230
bonds (distance) P-C4' energy: -113.158
flat angles C4'-P-C4' energy: -143.115
flat angles P-C4'-P energy: -84.030
tors. eta vs tors. theta energy: -179.607
Dist. restrs. and SS energy: 11.975 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -2064.517103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2064.517103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2081.024202 (E_RNA)
where:
Base-Base interactions energy: -1452.584
where: short stacking energy: -619.181
Base-Backbone interact. energy: -2.520
local terms energy: -625.919721
where:
bonds (distance) C4'-P energy: -100.977
bonds (distance) P-C4' energy: -116.335
flat angles C4'-P-C4' energy: -149.206
flat angles P-C4'-P energy: -87.480
tors. eta vs tors. theta energy: -171.922
Dist. restrs. and SS energy: 16.507 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -1953.548948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.548948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1979.281097 (E_RNA)
where:
Base-Base interactions energy: -1391.624
where: short stacking energy: -583.321
Base-Backbone interact. energy: -0.639
local terms energy: -587.018255
where:
bonds (distance) C4'-P energy: -112.645
bonds (distance) P-C4' energy: -91.254
flat angles C4'-P-C4' energy: -134.078
flat angles P-C4'-P energy: -88.408
tors. eta vs tors. theta energy: -160.634
Dist. restrs. and SS energy: 25.732 (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: 2
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -2798.164397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2798.164397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2801.673335 (E_RNA)
where:
Base-Base interactions energy: -1973.535
where: short stacking energy: -829.208
Base-Backbone interact. energy: -3.955
local terms energy: -824.183426
where:
bonds (distance) C4'-P energy: -140.023
bonds (distance) P-C4' energy: -142.179
flat angles C4'-P-C4' energy: -170.437
flat angles P-C4'-P energy: -119.382
tors. eta vs tors. theta energy: -252.162
Dist. restrs. and SS energy: 3.509 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -2714.340086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2714.340086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2719.748046 (E_RNA)
where:
Base-Base interactions energy: -1908.681
where: short stacking energy: -822.300
Base-Backbone interact. energy: -2.012
local terms energy: -809.055213
where:
bonds (distance) C4'-P energy: -137.641
bonds (distance) P-C4' energy: -131.933
flat angles C4'-P-C4' energy: -173.922
flat angles P-C4'-P energy: -122.099
tors. eta vs tors. theta energy: -243.461
Dist. restrs. and SS energy: 5.408 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -2612.974833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2612.974833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2615.866879 (E_RNA)
where:
Base-Base interactions energy: -1810.347
where: short stacking energy: -783.794
Base-Backbone interact. energy: -3.484
local terms energy: -802.035827
where:
bonds (distance) C4'-P energy: -142.627
bonds (distance) P-C4' energy: -132.609
flat angles C4'-P-C4' energy: -171.476
flat angles P-C4'-P energy: -124.820
tors. eta vs tors. theta energy: -230.505
Dist. restrs. and SS energy: 2.892 (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: 1
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -2547.279491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2547.279491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2551.013815 (E_RNA)
where:
Base-Base interactions energy: -1811.887
where: short stacking energy: -754.094
Base-Backbone interact. energy: -0.940
local terms energy: -738.186372
where:
bonds (distance) C4'-P energy: -135.535
bonds (distance) P-C4' energy: -130.633
flat angles C4'-P-C4' energy: -150.248
flat angles P-C4'-P energy: -111.058
tors. eta vs tors. theta energy: -210.712
Dist. restrs. and SS energy: 3.734 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -2413.071164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2413.071164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2419.971545 (E_RNA)
where:
Base-Base interactions energy: -1657.902
where: short stacking energy: -706.256
Base-Backbone interact. energy: -1.708
local terms energy: -760.361569
where:
bonds (distance) C4'-P energy: -134.568
bonds (distance) P-C4' energy: -134.864
flat angles C4'-P-C4' energy: -164.641
flat angles P-C4'-P energy: -110.169
tors. eta vs tors. theta energy: -216.119
Dist. restrs. and SS energy: 6.900 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -2345.160524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2345.160524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2350.474996 (E_RNA)
where:
Base-Base interactions energy: -1650.836
where: short stacking energy: -678.282
Base-Backbone interact. energy: -1.178
local terms energy: -698.460536
where:
bonds (distance) C4'-P energy: -116.464
bonds (distance) P-C4' energy: -131.357
flat angles C4'-P-C4' energy: -147.592
flat angles P-C4'-P energy: -96.486
tors. eta vs tors. theta energy: -206.562
Dist. restrs. and SS energy: 5.314 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -2261.219727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2261.219727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2269.227080 (E_RNA)
where:
Base-Base interactions energy: -1575.404
where: short stacking energy: -652.479
Base-Backbone interact. energy: -2.395
local terms energy: -691.428569
where:
bonds (distance) C4'-P energy: -134.821
bonds (distance) P-C4' energy: -124.282
flat angles C4'-P-C4' energy: -143.836
flat angles P-C4'-P energy: -91.846
tors. eta vs tors. theta energy: -196.644
Dist. restrs. and SS energy: 8.007 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -2249.247171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2249.247171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2256.761252 (E_RNA)
where:
Base-Base interactions energy: -1588.813
where: short stacking energy: -647.197
Base-Backbone interact. energy: 2.499
local terms energy: -670.447137
where:
bonds (distance) C4'-P energy: -111.260
bonds (distance) P-C4' energy: -126.305
flat angles C4'-P-C4' energy: -148.975
flat angles P-C4'-P energy: -93.678
tors. eta vs tors. theta energy: -190.229
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: 9, replica: 6
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -2086.208483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2086.208483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2096.101434 (E_RNA)
where:
Base-Base interactions energy: -1450.783
where: short stacking energy: -624.735
Base-Backbone interact. energy: -1.160
local terms energy: -644.158723
where:
bonds (distance) C4'-P energy: -101.660
bonds (distance) P-C4' energy: -136.261
flat angles C4'-P-C4' energy: -139.569
flat angles P-C4'-P energy: -86.994
tors. eta vs tors. theta energy: -179.675
Dist. restrs. and SS energy: 9.893 (S_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: 453
Temperature: 1.350000
Total energy: -1946.180116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.180116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1961.623624 (E_RNA)
where:
Base-Base interactions energy: -1381.488
where: short stacking energy: -567.147
Base-Backbone interact. energy: -1.416
local terms energy: -578.719622
where:
bonds (distance) C4'-P energy: -108.800
bonds (distance) P-C4' energy: -137.473
flat angles C4'-P-C4' energy: -113.429
flat angles P-C4'-P energy: -51.059
tors. eta vs tors. theta energy: -167.959
Dist. restrs. and SS energy: 15.444 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -2790.857019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2790.857019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2793.643071 (E_RNA)
where:
Base-Base interactions energy: -1939.209
where: short stacking energy: -822.213
Base-Backbone interact. energy: -0.949
local terms energy: -853.485686
where:
bonds (distance) C4'-P energy: -145.507
bonds (distance) P-C4' energy: -158.725
flat angles C4'-P-C4' energy: -174.464
flat angles P-C4'-P energy: -122.420
tors. eta vs tors. theta energy: -252.369
Dist. restrs. and SS energy: 2.786 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -2689.506143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2689.506143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2694.156566 (E_RNA)
where:
Base-Base interactions energy: -1891.391
where: short stacking energy: -788.873
Base-Backbone interact. energy: -6.172
local terms energy: -796.593344
where:
bonds (distance) C4'-P energy: -147.634
bonds (distance) P-C4' energy: -142.499
flat angles C4'-P-C4' energy: -172.320
flat angles P-C4'-P energy: -103.694
tors. eta vs tors. theta energy: -230.447
Dist. restrs. and SS energy: 4.650 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -2619.583970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2619.583970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2623.371905 (E_RNA)
where:
Base-Base interactions energy: -1823.990
where: short stacking energy: -776.429
Base-Backbone interact. energy: -3.514
local terms energy: -795.867627
where:
bonds (distance) C4'-P energy: -146.610
bonds (distance) P-C4' energy: -144.285
flat angles C4'-P-C4' energy: -158.314
flat angles P-C4'-P energy: -106.029
tors. eta vs tors. theta energy: -240.630
Dist. restrs. and SS energy: 3.788 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -2546.180940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2546.180940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2549.902198 (E_RNA)
where:
Base-Base interactions energy: -1796.825
where: short stacking energy: -735.152
Base-Backbone interact. energy: 1.585
local terms energy: -754.662054
where:
bonds (distance) C4'-P energy: -128.355
bonds (distance) P-C4' energy: -140.178
flat angles C4'-P-C4' energy: -154.745
flat angles P-C4'-P energy: -109.800
tors. eta vs tors. theta energy: -221.584
Dist. restrs. and SS energy: 3.721 (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: 3
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -2426.423205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2426.423205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2429.887047 (E_RNA)
where:
Base-Base interactions energy: -1699.250
where: short stacking energy: -725.819
Base-Backbone interact. energy: -1.087
local terms energy: -729.550760
where:
bonds (distance) C4'-P energy: -128.107
bonds (distance) P-C4' energy: -128.177
flat angles C4'-P-C4' energy: -144.849
flat angles P-C4'-P energy: -111.120
tors. eta vs tors. theta energy: -217.298
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: 6, replica: 10
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -2368.698530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2368.698530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2376.236853 (E_RNA)
where:
Base-Base interactions energy: -1646.695
where: short stacking energy: -703.184
Base-Backbone interact. energy: -3.708
local terms energy: -725.834103
where:
bonds (distance) C4'-P energy: -119.328
bonds (distance) P-C4' energy: -136.106
flat angles C4'-P-C4' energy: -166.079
flat angles P-C4'-P energy: -95.605
tors. eta vs tors. theta energy: -208.716
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: 7, replica: 9
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -2316.382239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2316.382239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2323.239382 (E_RNA)
where:
Base-Base interactions energy: -1606.945
where: short stacking energy: -668.668
Base-Backbone interact. energy: -1.232
local terms energy: -715.061898
where:
bonds (distance) C4'-P energy: -135.095
bonds (distance) P-C4' energy: -135.288
flat angles C4'-P-C4' energy: -144.686
flat angles P-C4'-P energy: -85.089
tors. eta vs tors. theta energy: -214.903
Dist. restrs. and SS energy: 6.857 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -2207.178994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2207.178994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2220.175280 (E_RNA)
where:
Base-Base interactions energy: -1552.344
where: short stacking energy: -642.207
Base-Backbone interact. energy: -3.169
local terms energy: -664.662900
where:
bonds (distance) C4'-P energy: -117.548
bonds (distance) P-C4' energy: -131.234
flat angles C4'-P-C4' energy: -142.877
flat angles P-C4'-P energy: -90.971
tors. eta vs tors. theta energy: -182.034
Dist. restrs. and SS energy: 12.996 (S_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: 454
Temperature: 1.300000
Total energy: -2048.768151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2048.768151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2070.072957 (E_RNA)
where:
Base-Base interactions energy: -1439.917
where: short stacking energy: -618.232
Base-Backbone interact. energy: -0.781
local terms energy: -629.374626
where:
bonds (distance) C4'-P energy: -113.699
bonds (distance) P-C4' energy: -123.805
flat angles C4'-P-C4' energy: -131.079
flat angles P-C4'-P energy: -85.496
tors. eta vs tors. theta energy: -175.295
Dist. restrs. and SS energy: 21.305 (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: 6
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -1992.249719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1992.249719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2013.378000 (E_RNA)
where:
Base-Base interactions energy: -1441.483
where: short stacking energy: -586.534
Base-Backbone interact. energy: -3.569
local terms energy: -568.326749
where:
bonds (distance) C4'-P energy: -104.201
bonds (distance) P-C4' energy: -103.996
flat angles C4'-P-C4' energy: -130.425
flat angles P-C4'-P energy: -79.950
tors. eta vs tors. theta energy: -149.755
Dist. restrs. and SS energy: 21.128 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -2797.949220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2797.949220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2799.807226 (E_RNA)
where:
Base-Base interactions energy: -1952.853
where: short stacking energy: -824.498
Base-Backbone interact. energy: -2.201
local terms energy: -844.753445
where:
bonds (distance) C4'-P energy: -144.346
bonds (distance) P-C4' energy: -147.184
flat angles C4'-P-C4' energy: -181.924
flat angles P-C4'-P energy: -126.398
tors. eta vs tors. theta energy: -244.902
Dist. restrs. and SS energy: 1.858 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -2702.848361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2702.848361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2709.254309 (E_RNA)
where:
Base-Base interactions energy: -1884.926
where: short stacking energy: -807.075
Base-Backbone interact. energy: -0.375
local terms energy: -823.953515
where:
bonds (distance) C4'-P energy: -140.959
bonds (distance) P-C4' energy: -153.444
flat angles C4'-P-C4' energy: -170.208
flat angles P-C4'-P energy: -119.651
tors. eta vs tors. theta energy: -239.692
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: 3, replica: 8
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -2605.899337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2605.899337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2608.387041 (E_RNA)
where:
Base-Base interactions energy: -1840.577
where: short stacking energy: -798.207
Base-Backbone interact. energy: -8.018
local terms energy: -759.791870
where:
bonds (distance) C4'-P energy: -118.656
bonds (distance) P-C4' energy: -130.377
flat angles C4'-P-C4' energy: -161.320
flat angles P-C4'-P energy: -119.622
tors. eta vs tors. theta energy: -229.816
Dist. restrs. and SS energy: 2.488 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -2475.898771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2475.898771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2483.277094 (E_RNA)
where:
Base-Base interactions energy: -1738.504
where: short stacking energy: -741.950
Base-Backbone interact. energy: -0.420
local terms energy: -744.353467
where:
bonds (distance) C4'-P energy: -131.755
bonds (distance) P-C4' energy: -122.562
flat angles C4'-P-C4' energy: -162.178
flat angles P-C4'-P energy: -101.558
tors. eta vs tors. theta energy: -226.301
Dist. restrs. and SS energy: 7.378 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -2526.029596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2526.029596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2530.309019 (E_RNA)
where:
Base-Base interactions energy: -1771.456
where: short stacking energy: -721.106
Base-Backbone interact. energy: -1.560
local terms energy: -757.292509
where:
bonds (distance) C4'-P energy: -133.290
bonds (distance) P-C4' energy: -138.724
flat angles C4'-P-C4' energy: -166.865
flat angles P-C4'-P energy: -105.811
tors. eta vs tors. theta energy: -212.602
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: 6, replica: 10
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -2365.613644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2365.613644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2373.454777 (E_RNA)
where:
Base-Base interactions energy: -1687.880
where: short stacking energy: -703.011
Base-Backbone interact. energy: 0.537
local terms energy: -686.111110
where:
bonds (distance) C4'-P energy: -141.034
bonds (distance) P-C4' energy: -113.834
flat angles C4'-P-C4' energy: -131.335
flat angles P-C4'-P energy: -93.860
tors. eta vs tors. theta energy: -206.048
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: 7, replica: 9
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -2331.869241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2331.869241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2336.809167 (E_RNA)
where:
Base-Base interactions energy: -1626.074
where: short stacking energy: -678.263
Base-Backbone interact. energy: -1.955
local terms energy: -708.780302
where:
bonds (distance) C4'-P energy: -111.803
bonds (distance) P-C4' energy: -130.936
flat angles C4'-P-C4' energy: -155.942
flat angles P-C4'-P energy: -95.016
tors. eta vs tors. theta energy: -215.084
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: 8, replica: 7
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -2205.686994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2205.686994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2219.077629 (E_RNA)
where:
Base-Base interactions energy: -1548.555
where: short stacking energy: -672.875
Base-Backbone interact. energy: 2.685
local terms energy: -673.207687
where:
bonds (distance) C4'-P energy: -106.013
bonds (distance) P-C4' energy: -114.832
flat angles C4'-P-C4' energy: -142.669
flat angles P-C4'-P energy: -103.851
tors. eta vs tors. theta energy: -205.843
Dist. restrs. and SS energy: 13.391 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -2054.860126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2054.860126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.699322 (E_RNA)
where:
Base-Base interactions energy: -1414.118
where: short stacking energy: -584.214
Base-Backbone interact. energy: -2.095
local terms energy: -655.486651
where:
bonds (distance) C4'-P energy: -110.648
bonds (distance) P-C4' energy: -130.135
flat angles C4'-P-C4' energy: -127.325
flat angles P-C4'-P energy: -97.537
tors. eta vs tors. theta energy: -189.841
Dist. restrs. and SS energy: 16.839 (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: 6
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -1985.276223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1985.276223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1998.392327 (E_RNA)
where:
Base-Base interactions energy: -1389.302
where: short stacking energy: -604.731
Base-Backbone interact. energy: 1.382
local terms energy: -610.472383
where:
bonds (distance) C4'-P energy: -109.115
bonds (distance) P-C4' energy: -125.351
flat angles C4'-P-C4' energy: -133.852
flat angles P-C4'-P energy: -69.348
tors. eta vs tors. theta energy: -172.807
Dist. restrs. and SS energy: 13.116 (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: 2
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -2793.605609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2793.605609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2795.831830 (E_RNA)
where:
Base-Base interactions energy: -1973.135
where: short stacking energy: -809.174
Base-Backbone interact. energy: -0.526
local terms energy: -822.170670
where:
bonds (distance) C4'-P energy: -150.558
bonds (distance) P-C4' energy: -145.758
flat angles C4'-P-C4' energy: -170.281
flat angles P-C4'-P energy: -120.594
tors. eta vs tors. theta energy: -234.979
Dist. restrs. and SS energy: 2.226 (S_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: -2705.834942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2705.834942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2711.124610 (E_RNA)
where:
Base-Base interactions energy: -1902.213
where: short stacking energy: -770.089
Base-Backbone interact. energy: -2.080
local terms energy: -806.831393
where:
bonds (distance) C4'-P energy: -152.461
bonds (distance) P-C4' energy: -139.114
flat angles C4'-P-C4' energy: -174.585
flat angles P-C4'-P energy: -111.011
tors. eta vs tors. theta energy: -229.661
Dist. restrs. and SS energy: 5.290 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -2639.662709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2639.662709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2643.624624 (E_RNA)
where:
Base-Base interactions energy: -1835.817
where: short stacking energy: -816.878
Base-Backbone interact. energy: -1.762
local terms energy: -806.045828
where:
bonds (distance) C4'-P energy: -151.799
bonds (distance) P-C4' energy: -137.978
flat angles C4'-P-C4' energy: -162.124
flat angles P-C4'-P energy: -116.063
tors. eta vs tors. theta energy: -238.081
Dist. restrs. and SS energy: 3.962 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -2514.026250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2514.026250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2521.844942 (E_RNA)
where:
Base-Base interactions energy: -1756.901
where: short stacking energy: -758.383
Base-Backbone interact. energy: -3.105
local terms energy: -761.838763
where:
bonds (distance) C4'-P energy: -139.406
bonds (distance) P-C4' energy: -135.792
flat angles C4'-P-C4' energy: -153.261
flat angles P-C4'-P energy: -112.920
tors. eta vs tors. theta energy: -220.460
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: 1
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -2494.552518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2494.552518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2499.067755 (E_RNA)
where:
Base-Base interactions energy: -1736.164
where: short stacking energy: -706.910
Base-Backbone interact. energy: 0.268
local terms energy: -763.171732
where:
bonds (distance) C4'-P energy: -129.523
bonds (distance) P-C4' energy: -139.433
flat angles C4'-P-C4' energy: -159.395
flat angles P-C4'-P energy: -121.380
tors. eta vs tors. theta energy: -213.441
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: 6, replica: 10
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -2334.203683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2334.203683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2343.337910 (E_RNA)
where:
Base-Base interactions energy: -1656.900
where: short stacking energy: -717.674
Base-Backbone interact. energy: -2.145
local terms energy: -684.293330
where:
bonds (distance) C4'-P energy: -130.164
bonds (distance) P-C4' energy: -110.996
flat angles C4'-P-C4' energy: -146.758
flat angles P-C4'-P energy: -89.811
tors. eta vs tors. theta energy: -206.564
Dist. restrs. and SS energy: 9.134 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -2306.091973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2306.091973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2313.946862 (E_RNA)
where:
Base-Base interactions energy: -1605.367
where: short stacking energy: -673.568
Base-Backbone interact. energy: -0.294
local terms energy: -708.286344
where:
bonds (distance) C4'-P energy: -123.861
bonds (distance) P-C4' energy: -135.398
flat angles C4'-P-C4' energy: -151.094
flat angles P-C4'-P energy: -84.985
tors. eta vs tors. theta energy: -212.948
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: 8, replica: 7
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -2227.316827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2227.316827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2239.196884 (E_RNA)
where:
Base-Base interactions energy: -1551.553
where: short stacking energy: -651.051
Base-Backbone interact. energy: -1.328
local terms energy: -686.316449
where:
bonds (distance) C4'-P energy: -134.881
bonds (distance) P-C4' energy: -115.067
flat angles C4'-P-C4' energy: -143.616
flat angles P-C4'-P energy: -94.393
tors. eta vs tors. theta energy: -198.359
Dist. restrs. and SS energy: 11.880 (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: 6
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -2029.703830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2029.703830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2050.385498 (E_RNA)
where:
Base-Base interactions energy: -1434.410
where: short stacking energy: -587.208
Base-Backbone interact. energy: -3.412
local terms energy: -612.563562
where:
bonds (distance) C4'-P energy: -106.709
bonds (distance) P-C4' energy: -96.421
flat angles C4'-P-C4' energy: -141.626
flat angles P-C4'-P energy: -93.714
tors. eta vs tors. theta energy: -174.095
Dist. restrs. and SS energy: 20.682 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -1957.806707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1957.806707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1978.228383 (E_RNA)
where:
Base-Base interactions energy: -1368.578
where: short stacking energy: -547.895
Base-Backbone interact. energy: 6.674
local terms energy: -616.324041
where:
bonds (distance) C4'-P energy: -113.038
bonds (distance) P-C4' energy: -119.856
flat angles C4'-P-C4' energy: -133.650
flat angles P-C4'-P energy: -78.281
tors. eta vs tors. theta energy: -171.498
Dist. restrs. and SS energy: 20.422 (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: 2
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -2775.974848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2775.974848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2778.921997 (E_RNA)
where:
Base-Base interactions energy: -1948.842
where: short stacking energy: -817.765
Base-Backbone interact. energy: -0.760
local terms energy: -829.320729
where:
bonds (distance) C4'-P energy: -146.836
bonds (distance) P-C4' energy: -148.343
flat angles C4'-P-C4' energy: -173.732
flat angles P-C4'-P energy: -121.437
tors. eta vs tors. theta energy: -238.972
Dist. restrs. and SS energy: 2.947 (S_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: 457
Temperature: 0.950000
Total energy: -2738.431631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2738.431631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2744.292732 (E_RNA)
where:
Base-Base interactions energy: -1946.021
where: short stacking energy: -822.355
Base-Backbone interact. energy: -6.904
local terms energy: -791.367973
where:
bonds (distance) C4'-P energy: -133.724
bonds (distance) P-C4' energy: -133.378
flat angles C4'-P-C4' energy: -172.604
flat angles P-C4'-P energy: -115.762
tors. eta vs tors. theta energy: -235.900
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: 3, replica: 8
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -2595.893251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2595.893251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2599.408404 (E_RNA)
where:
Base-Base interactions energy: -1823.546
where: short stacking energy: -800.618
Base-Backbone interact. energy: 1.219
local terms energy: -777.081109
where:
bonds (distance) C4'-P energy: -126.589
bonds (distance) P-C4' energy: -150.051
flat angles C4'-P-C4' energy: -155.241
flat angles P-C4'-P energy: -108.682
tors. eta vs tors. theta energy: -236.518
Dist. restrs. and SS energy: 3.515 (S_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: 457
Temperature: 1.050000
Total energy: -2512.973860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2512.973860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2520.602791 (E_RNA)
where:
Base-Base interactions energy: -1747.805
where: short stacking energy: -750.054
Base-Backbone interact. energy: -1.265
local terms energy: -771.533231
where:
bonds (distance) C4'-P energy: -141.417
bonds (distance) P-C4' energy: -123.577
flat angles C4'-P-C4' energy: -164.654
flat angles P-C4'-P energy: -110.988
tors. eta vs tors. theta energy: -230.896
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: 5, replica: 1
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -2492.386373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2492.386373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2495.674213 (E_RNA)
where:
Base-Base interactions energy: -1735.063
where: short stacking energy: -727.808
Base-Backbone interact. energy: -0.789
local terms energy: -759.822600
where:
bonds (distance) C4'-P energy: -118.758
bonds (distance) P-C4' energy: -144.291
flat angles C4'-P-C4' energy: -160.133
flat angles P-C4'-P energy: -107.876
tors. eta vs tors. theta energy: -228.766
Dist. restrs. and SS energy: 3.288 (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: 10
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -2321.121101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2321.121101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2330.414182 (E_RNA)
where:
Base-Base interactions energy: -1626.595
where: short stacking energy: -686.288
Base-Backbone interact. energy: -1.440
local terms energy: -702.379418
where:
bonds (distance) C4'-P energy: -117.395
bonds (distance) P-C4' energy: -126.708
flat angles C4'-P-C4' energy: -157.100
flat angles P-C4'-P energy: -100.262
tors. eta vs tors. theta energy: -200.914
Dist. restrs. and SS energy: 9.293 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -2282.299521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2282.299521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2294.070061 (E_RNA)
where:
Base-Base interactions energy: -1597.870
where: short stacking energy: -666.228
Base-Backbone interact. energy: -4.347
local terms energy: -691.852803
where:
bonds (distance) C4'-P energy: -121.141
bonds (distance) P-C4' energy: -131.906
flat angles C4'-P-C4' energy: -133.991
flat angles P-C4'-P energy: -106.438
tors. eta vs tors. theta energy: -198.377
Dist. restrs. and SS energy: 11.771 (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: 7
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -2199.077579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2199.077579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2205.670312 (E_RNA)
where:
Base-Base interactions energy: -1559.701
where: short stacking energy: -633.702
Base-Backbone interact. energy: -3.200
local terms energy: -642.768685
where:
bonds (distance) C4'-P energy: -117.026
bonds (distance) P-C4' energy: -119.479
flat angles C4'-P-C4' energy: -140.484
flat angles P-C4'-P energy: -83.679
tors. eta vs tors. theta energy: -182.102
Dist. restrs. and SS energy: 6.593 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -2050.932252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2050.932252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2072.538706 (E_RNA)
where:
Base-Base interactions energy: -1433.379
where: short stacking energy: -596.531
Base-Backbone interact. energy: -2.002
local terms energy: -637.156848
where:
bonds (distance) C4'-P energy: -118.328
bonds (distance) P-C4' energy: -135.647
flat angles C4'-P-C4' energy: -143.464
flat angles P-C4'-P energy: -86.373
tors. eta vs tors. theta energy: -153.344
Dist. restrs. and SS energy: 21.606 (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: 457
Temperature: 1.350000
Total energy: -1925.334837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.334837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.078287 (E_RNA)
where:
Base-Base interactions energy: -1345.659
where: short stacking energy: -571.578
Base-Backbone interact. energy: -2.633
local terms energy: -597.786229
where:
bonds (distance) C4'-P energy: -122.510
bonds (distance) P-C4' energy: -109.740
flat angles C4'-P-C4' energy: -114.954
flat angles P-C4'-P energy: -91.198
tors. eta vs tors. theta energy: -159.385
Dist. restrs. and SS energy: 20.743 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -2766.504339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2766.504339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2774.037711 (E_RNA)
where:
Base-Base interactions energy: -1945.100
where: short stacking energy: -826.208
Base-Backbone interact. energy: -2.743
local terms energy: -826.193988
where:
bonds (distance) C4'-P energy: -145.877
bonds (distance) P-C4' energy: -139.500
flat angles C4'-P-C4' energy: -171.481
flat angles P-C4'-P energy: -126.340
tors. eta vs tors. theta energy: -242.995
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: 2, replica: 5
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -2742.463258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2742.463258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2747.120088 (E_RNA)
where:
Base-Base interactions energy: -1935.009
where: short stacking energy: -825.713
Base-Backbone interact. energy: -2.864
local terms energy: -809.247331
where:
bonds (distance) C4'-P energy: -129.003
bonds (distance) P-C4' energy: -142.721
flat angles C4'-P-C4' energy: -167.628
flat angles P-C4'-P energy: -125.299
tors. eta vs tors. theta energy: -244.597
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: 3, replica: 8
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -2614.289282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2614.289282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2618.177727 (E_RNA)
where:
Base-Base interactions energy: -1829.627
where: short stacking energy: -777.850
Base-Backbone interact. energy: -0.387
local terms energy: -788.163711
where:
bonds (distance) C4'-P energy: -124.030
bonds (distance) P-C4' energy: -140.907
flat angles C4'-P-C4' energy: -161.141
flat angles P-C4'-P energy: -121.196
tors. eta vs tors. theta energy: -240.890
Dist. restrs. and SS energy: 3.888 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -2510.277374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2510.277374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2516.425076 (E_RNA)
where:
Base-Base interactions energy: -1753.504
where: short stacking energy: -734.725
Base-Backbone interact. energy: 1.623
local terms energy: -764.544152
where:
bonds (distance) C4'-P energy: -129.703
bonds (distance) P-C4' energy: -138.439
flat angles C4'-P-C4' energy: -164.030
flat angles P-C4'-P energy: -112.250
tors. eta vs tors. theta energy: -220.122
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: 5, replica: 1
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -2479.226236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2479.226236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2483.800887 (E_RNA)
where:
Base-Base interactions energy: -1746.924
where: short stacking energy: -741.598
Base-Backbone interact. energy: -6.115
local terms energy: -730.762337
where:
bonds (distance) C4'-P energy: -137.226
bonds (distance) P-C4' energy: -117.584
flat angles C4'-P-C4' energy: -161.222
flat angles P-C4'-P energy: -98.154
tors. eta vs tors. theta energy: -216.578
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: 6, replica: 10
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -2352.790852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2352.790852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2360.421964 (E_RNA)
where:
Base-Base interactions energy: -1666.533
where: short stacking energy: -683.371
Base-Backbone interact. energy: 0.088
local terms energy: -693.977007
where:
bonds (distance) C4'-P energy: -122.887
bonds (distance) P-C4' energy: -125.572
flat angles C4'-P-C4' energy: -143.718
flat angles P-C4'-P energy: -104.111
tors. eta vs tors. theta energy: -197.690
Dist. restrs. and SS energy: 7.631 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -2287.996636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2287.996636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2296.829726 (E_RNA)
where:
Base-Base interactions energy: -1601.390
where: short stacking energy: -684.127
Base-Backbone interact. energy: -1.787
local terms energy: -693.652478
where:
bonds (distance) C4'-P energy: -120.828
bonds (distance) P-C4' energy: -109.673
flat angles C4'-P-C4' energy: -150.443
flat angles P-C4'-P energy: -103.863
tors. eta vs tors. theta energy: -208.845
Dist. restrs. and SS energy: 8.833 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -2204.159548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2204.159548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2215.983054 (E_RNA)
where:
Base-Base interactions energy: -1558.258
where: short stacking energy: -642.116
Base-Backbone interact. energy: 0.888
local terms energy: -658.613398
where:
bonds (distance) C4'-P energy: -121.369
bonds (distance) P-C4' energy: -118.976
flat angles C4'-P-C4' energy: -135.759
flat angles P-C4'-P energy: -91.686
tors. eta vs tors. theta energy: -190.823
Dist. restrs. and SS energy: 11.824 (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: 458
Temperature: 1.300000
Total energy: -2064.886020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2064.886020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2077.335709 (E_RNA)
where:
Base-Base interactions energy: -1450.661
where: short stacking energy: -599.407
Base-Backbone interact. energy: -0.679
local terms energy: -625.995784
where:
bonds (distance) C4'-P energy: -124.327
bonds (distance) P-C4' energy: -111.594
flat angles C4'-P-C4' energy: -128.456
flat angles P-C4'-P energy: -84.397
tors. eta vs tors. theta energy: -177.221
Dist. restrs. and SS energy: 12.450 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -1935.064238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1935.064238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.742822 (E_RNA)
where:
Base-Base interactions energy: -1378.629
where: short stacking energy: -575.818
Base-Backbone interact. energy: 0.289
local terms energy: -586.403232
where:
bonds (distance) C4'-P energy: -130.860
bonds (distance) P-C4' energy: -89.089
flat angles C4'-P-C4' energy: -123.396
flat angles P-C4'-P energy: -80.649
tors. eta vs tors. theta energy: -162.410
Dist. restrs. and SS energy: 29.679 (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: 2
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -2782.317299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2782.317299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2785.224411 (E_RNA)
where:
Base-Base interactions energy: -1951.982
where: short stacking energy: -810.305
Base-Backbone interact. energy: -0.293
local terms energy: -832.948942
where:
bonds (distance) C4'-P energy: -161.293
bonds (distance) P-C4' energy: -145.118
flat angles C4'-P-C4' energy: -173.582
flat angles P-C4'-P energy: -112.632
tors. eta vs tors. theta energy: -240.324
Dist. restrs. and SS energy: 2.907 (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: 5
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -2695.665271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2695.665271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2700.365843 (E_RNA)
where:
Base-Base interactions energy: -1918.978
where: short stacking energy: -774.148
Base-Backbone interact. energy: -5.660
local terms energy: -775.727712
where:
bonds (distance) C4'-P energy: -135.414
bonds (distance) P-C4' energy: -135.207
flat angles C4'-P-C4' energy: -159.341
flat angles P-C4'-P energy: -115.914
tors. eta vs tors. theta energy: -229.852
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: 459
Temperature: 1.000000
Total energy: -2594.806043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2594.806043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2596.308301 (E_RNA)
where:
Base-Base interactions energy: -1814.806
where: short stacking energy: -763.400
Base-Backbone interact. energy: -0.129
local terms energy: -781.373300
where:
bonds (distance) C4'-P energy: -136.733
bonds (distance) P-C4' energy: -129.732
flat angles C4'-P-C4' energy: -172.506
flat angles P-C4'-P energy: -100.534
tors. eta vs tors. theta energy: -241.869
Dist. restrs. and SS energy: 1.502 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -2531.683617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2531.683617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2544.170961 (E_RNA)
where:
Base-Base interactions energy: -1762.553
where: short stacking energy: -736.394
Base-Backbone interact. energy: -1.144
local terms energy: -780.473521
where:
bonds (distance) C4'-P energy: -137.757
bonds (distance) P-C4' energy: -147.145
flat angles C4'-P-C4' energy: -153.143
flat angles P-C4'-P energy: -119.628
tors. eta vs tors. theta energy: -222.801
Dist. restrs. and SS energy: 12.487 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -2453.210047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2453.210047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2459.538496 (E_RNA)
where:
Base-Base interactions energy: -1748.246
where: short stacking energy: -745.231
Base-Backbone interact. energy: -0.756
local terms energy: -710.537003
where:
bonds (distance) C4'-P energy: -104.175
bonds (distance) P-C4' energy: -121.165
flat angles C4'-P-C4' energy: -152.741
flat angles P-C4'-P energy: -110.054
tors. eta vs tors. theta energy: -222.402
Dist. restrs. and SS energy: 6.328 (S_DIST_RNA)
chem. 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: -2338.658746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2338.658746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2348.259129 (E_RNA)
where:
Base-Base interactions energy: -1657.937
where: short stacking energy: -688.631
Base-Backbone interact. energy: -1.142
local terms energy: -689.179656
where:
bonds (distance) C4'-P energy: -115.776
bonds (distance) P-C4' energy: -132.995
flat angles C4'-P-C4' energy: -150.453
flat angles P-C4'-P energy: -80.665
tors. eta vs tors. theta energy: -209.291
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: 10
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -2297.003079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2297.003079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2305.223740 (E_RNA)
where:
Base-Base interactions energy: -1621.065
where: short stacking energy: -676.696
Base-Backbone interact. energy: -1.342
local terms energy: -682.816696
where:
bonds (distance) C4'-P energy: -130.196
bonds (distance) P-C4' energy: -114.748
flat angles C4'-P-C4' energy: -153.755
flat angles P-C4'-P energy: -90.539
tors. eta vs tors. theta energy: -193.579
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: 8, replica: 7
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -2221.276430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2221.276430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2228.063940 (E_RNA)
where:
Base-Base interactions energy: -1564.698
where: short stacking energy: -651.749
Base-Backbone interact. energy: 0.344
local terms energy: -663.709612
where:
bonds (distance) C4'-P energy: -99.104
bonds (distance) P-C4' energy: -118.542
flat angles C4'-P-C4' energy: -157.545
flat angles P-C4'-P energy: -95.055
tors. eta vs tors. theta energy: -193.463
Dist. restrs. and SS energy: 6.788 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -2055.528274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2055.528274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.916314 (E_RNA)
where:
Base-Base interactions energy: -1441.419
where: short stacking energy: -608.657
Base-Backbone interact. energy: 2.774
local terms energy: -633.271194
where:
bonds (distance) C4'-P energy: -118.593
bonds (distance) P-C4' energy: -122.023
flat angles C4'-P-C4' energy: -150.604
flat angles P-C4'-P energy: -73.176
tors. eta vs tors. theta energy: -168.876
Dist. restrs. and SS energy: 16.388 (S_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: 459
Temperature: 1.350000
Total energy: -1940.220664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1940.220664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1955.502272 (E_RNA)
where:
Base-Base interactions energy: -1378.172
where: short stacking energy: -571.889
Base-Backbone interact. energy: 1.639
local terms energy: -578.970082
where:
bonds (distance) C4'-P energy: -90.596
bonds (distance) P-C4' energy: -116.433
flat angles C4'-P-C4' energy: -133.639
flat angles P-C4'-P energy: -70.033
tors. eta vs tors. theta energy: -168.269
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: 1, replica: 2
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -2762.105282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2762.105282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2765.839243 (E_RNA)
where:
Base-Base interactions energy: -1943.157
where: short stacking energy: -776.401
Base-Backbone interact. energy: -1.829
local terms energy: -820.852670
where:
bonds (distance) C4'-P energy: -149.966
bonds (distance) P-C4' energy: -148.056
flat angles C4'-P-C4' energy: -162.795
flat angles P-C4'-P energy: -124.565
tors. eta vs tors. theta energy: -235.471
Dist. restrs. and SS energy: 3.734 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -2690.785729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2690.785729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2698.943078 (E_RNA)
where:
Base-Base interactions energy: -1897.531
where: short stacking energy: -802.783
Base-Backbone interact. energy: -4.469
local terms energy: -796.942839
where:
bonds (distance) C4'-P energy: -141.159
bonds (distance) P-C4' energy: -142.404
flat angles C4'-P-C4' energy: -159.878
flat angles P-C4'-P energy: -105.944
tors. eta vs tors. theta energy: -247.558
Dist. restrs. and SS energy: 8.157 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -2607.122998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2607.122998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2612.451893 (E_RNA)
where:
Base-Base interactions energy: -1797.265
where: short stacking energy: -755.403
Base-Backbone interact. energy: -2.053
local terms energy: -813.134269
where:
bonds (distance) C4'-P energy: -133.008
bonds (distance) P-C4' energy: -160.800
flat angles C4'-P-C4' energy: -161.419
flat angles P-C4'-P energy: -120.079
tors. eta vs tors. theta energy: -237.827
Dist. restrs. and SS energy: 5.329 (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: 3
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -2523.224238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2523.224238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2529.173093 (E_RNA)
where:
Base-Base interactions energy: -1773.803
where: short stacking energy: -766.912
Base-Backbone interact. energy: 0.090
local terms energy: -755.460090
where:
bonds (distance) C4'-P energy: -131.394
bonds (distance) P-C4' energy: -127.410
flat angles C4'-P-C4' energy: -159.121
flat angles P-C4'-P energy: -105.811
tors. eta vs tors. theta energy: -231.724
Dist. restrs. and SS energy: 5.949 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -2471.709972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2471.709972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2475.528188 (E_RNA)
where:
Base-Base interactions energy: -1729.175
where: short stacking energy: -737.489
Base-Backbone interact. energy: -3.773
local terms energy: -742.580862
where:
bonds (distance) C4'-P energy: -129.488
bonds (distance) P-C4' energy: -128.994
flat angles C4'-P-C4' energy: -158.972
flat angles P-C4'-P energy: -106.124
tors. eta vs tors. theta energy: -219.002
Dist. restrs. and SS energy: 3.818 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -2344.231951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2344.231951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2355.553361 (E_RNA)
where:
Base-Base interactions energy: -1627.060
where: short stacking energy: -685.283
Base-Backbone interact. energy: -0.232
local terms energy: -728.260726
where:
bonds (distance) C4'-P energy: -120.660
bonds (distance) P-C4' energy: -138.803
flat angles C4'-P-C4' energy: -149.926
flat angles P-C4'-P energy: -111.124
tors. eta vs tors. theta energy: -207.747
Dist. restrs. and SS energy: 11.321 (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: 10
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -2298.358492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2298.358492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2308.489146 (E_RNA)
where:
Base-Base interactions energy: -1610.612
where: short stacking energy: -689.420
Base-Backbone interact. energy: -1.440
local terms energy: -696.436881
where:
bonds (distance) C4'-P energy: -122.600
bonds (distance) P-C4' energy: -119.885
flat angles C4'-P-C4' energy: -144.362
flat angles P-C4'-P energy: -107.527
tors. eta vs tors. theta energy: -202.064
Dist. restrs. and SS energy: 10.131 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -2254.536385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2254.536385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2266.678910 (E_RNA)
where:
Base-Base interactions energy: -1566.152
where: short stacking energy: -657.567
Base-Backbone interact. energy: -4.121
local terms energy: -696.405642
where:
bonds (distance) C4'-P energy: -110.084
bonds (distance) P-C4' energy: -130.228
flat angles C4'-P-C4' energy: -154.985
flat angles P-C4'-P energy: -99.692
tors. eta vs tors. theta energy: -201.417
Dist. restrs. and SS energy: 12.143 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -2036.990141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2036.990141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2057.307074 (E_RNA)
where:
Base-Base interactions energy: -1430.030
where: short stacking energy: -597.802
Base-Backbone interact. energy: -2.196
local terms energy: -625.081193
where:
bonds (distance) C4'-P energy: -109.906
bonds (distance) P-C4' energy: -122.417
flat angles C4'-P-C4' energy: -137.936
flat angles P-C4'-P energy: -90.294
tors. eta vs tors. theta energy: -164.528
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: 10, replica: 4
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -1950.916631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.916631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1971.957824 (E_RNA)
where:
Base-Base interactions energy: -1425.297
where: short stacking energy: -600.552
Base-Backbone interact. energy: 4.185
local terms energy: -550.845647
where:
bonds (distance) C4'-P energy: -108.828
bonds (distance) P-C4' energy: -99.553
flat angles C4'-P-C4' energy: -110.013
flat angles P-C4'-P energy: -63.825
tors. eta vs tors. theta energy: -168.626
Dist. restrs. and SS energy: 21.041 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -2777.273313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2777.273313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2781.518972 (E_RNA)
where:
Base-Base interactions energy: -1948.059
where: short stacking energy: -801.791
Base-Backbone interact. energy: -3.433
local terms energy: -830.026533
where:
bonds (distance) C4'-P energy: -139.969
bonds (distance) P-C4' energy: -150.935
flat angles C4'-P-C4' energy: -176.532
flat angles P-C4'-P energy: -124.082
tors. eta vs tors. theta energy: -238.509
Dist. restrs. and SS energy: 4.246 (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: 5
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -2712.736488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2712.736488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2717.573740 (E_RNA)
where:
Base-Base interactions energy: -1907.135
where: short stacking energy: -807.153
Base-Backbone interact. energy: -1.533
local terms energy: -808.905319
where:
bonds (distance) C4'-P energy: -137.318
bonds (distance) P-C4' energy: -141.458
flat angles C4'-P-C4' energy: -163.081
flat angles P-C4'-P energy: -121.292
tors. eta vs tors. theta energy: -245.756
Dist. restrs. and SS energy: 4.837 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -2621.394012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2621.394012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2626.313155 (E_RNA)
where:
Base-Base interactions energy: -1831.903
where: short stacking energy: -786.672
Base-Backbone interact. energy: -2.432
local terms energy: -791.978206
where:
bonds (distance) C4'-P energy: -146.541
bonds (distance) P-C4' energy: -116.783
flat angles C4'-P-C4' energy: -156.081
flat angles P-C4'-P energy: -127.714
tors. eta vs tors. theta energy: -244.858
Dist. restrs. and SS energy: 4.919 (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: 3
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -2548.170921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2548.170921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2556.016260 (E_RNA)
where:
Base-Base interactions energy: -1786.020
where: short stacking energy: -754.617
Base-Backbone interact. energy: -2.047
local terms energy: -767.948644
where:
bonds (distance) C4'-P energy: -124.582
bonds (distance) P-C4' energy: -132.768
flat angles C4'-P-C4' energy: -163.589
flat angles P-C4'-P energy: -109.370
tors. eta vs tors. theta energy: -237.640
Dist. restrs. and SS energy: 7.845 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -2494.439496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2494.439496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2497.633763 (E_RNA)
where:
Base-Base interactions energy: -1732.744
where: short stacking energy: -722.363
Base-Backbone interact. energy: -3.243
local terms energy: -761.647192
where:
bonds (distance) C4'-P energy: -126.000
bonds (distance) P-C4' energy: -130.801
flat angles C4'-P-C4' energy: -173.562
flat angles P-C4'-P energy: -106.470
tors. eta vs tors. theta energy: -224.813
Dist. restrs. and SS energy: 3.194 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -2348.754441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2348.754441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2355.744827 (E_RNA)
where:
Base-Base interactions energy: -1630.502
where: short stacking energy: -678.570
Base-Backbone interact. energy: -1.272
local terms energy: -723.970866
where:
bonds (distance) C4'-P energy: -117.937
bonds (distance) P-C4' energy: -128.745
flat angles C4'-P-C4' energy: -156.997
flat angles P-C4'-P energy: -116.359
tors. eta vs tors. theta energy: -203.932
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: 7, replica: 10
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -2328.318327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2328.318327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2335.102903 (E_RNA)
where:
Base-Base interactions energy: -1635.485
where: short stacking energy: -658.330
Base-Backbone interact. energy: -1.630
local terms energy: -697.988127
where:
bonds (distance) C4'-P energy: -125.419
bonds (distance) P-C4' energy: -112.853
flat angles C4'-P-C4' energy: -150.724
flat angles P-C4'-P energy: -105.694
tors. eta vs tors. theta energy: -203.298
Dist. restrs. and SS energy: 6.785 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -2216.684182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2216.684182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2225.388921 (E_RNA)
where:
Base-Base interactions energy: -1560.484
where: short stacking energy: -643.600
Base-Backbone interact. energy: 2.298
local terms energy: -667.203501
where:
bonds (distance) C4'-P energy: -118.053
bonds (distance) P-C4' energy: -135.032
flat angles C4'-P-C4' energy: -138.974
flat angles P-C4'-P energy: -91.517
tors. eta vs tors. theta energy: -183.628
Dist. restrs. and SS energy: 8.705 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -1978.712813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1978.712813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.522133 (E_RNA)
where:
Base-Base interactions energy: -1393.664
where: short stacking energy: -576.922
Base-Backbone interact. energy: -3.947
local terms energy: -604.911181
where:
bonds (distance) C4'-P energy: -117.807
bonds (distance) P-C4' energy: -106.559
flat angles C4'-P-C4' energy: -140.114
flat angles P-C4'-P energy: -81.177
tors. eta vs tors. theta energy: -159.253
Dist. restrs. and SS energy: 23.809 (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: 4
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -1966.960599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1966.960599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1989.971849 (E_RNA)
where:
Base-Base interactions energy: -1380.143
where: short stacking energy: -554.653
Base-Backbone interact. energy: 0.266
local terms energy: -610.095467
where:
bonds (distance) C4'-P energy: -124.328
bonds (distance) P-C4' energy: -124.656
flat angles C4'-P-C4' energy: -123.153
flat angles P-C4'-P energy: -79.906
tors. eta vs tors. theta energy: -158.053
Dist. restrs. and SS energy: 23.011 (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: 5
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -2739.083674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2739.083674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2744.369660 (E_RNA)
where:
Base-Base interactions energy: -1932.042
where: short stacking energy: -807.045
Base-Backbone interact. energy: -3.838
local terms energy: -808.488879
where:
bonds (distance) C4'-P energy: -136.894
bonds (distance) P-C4' energy: -141.934
flat angles C4'-P-C4' energy: -164.943
flat angles P-C4'-P energy: -123.213
tors. eta vs tors. theta energy: -241.505
Dist. restrs. and SS energy: 5.286 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -2719.545737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2719.545737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2723.022667 (E_RNA)
where:
Base-Base interactions energy: -1912.702
where: short stacking energy: -780.560
Base-Backbone interact. energy: -2.058
local terms energy: -808.262385
where:
bonds (distance) C4'-P energy: -138.235
bonds (distance) P-C4' energy: -144.374
flat angles C4'-P-C4' energy: -172.535
flat angles P-C4'-P energy: -121.734
tors. eta vs tors. theta energy: -231.384
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: 3, replica: 8
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -2596.340195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2596.340195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2600.716808 (E_RNA)
where:
Base-Base interactions energy: -1817.015
where: short stacking energy: -804.559
Base-Backbone interact. energy: -1.777
local terms energy: -781.924515
where:
bonds (distance) C4'-P energy: -133.640
bonds (distance) P-C4' energy: -132.914
flat angles C4'-P-C4' energy: -156.437
flat angles P-C4'-P energy: -110.411
tors. eta vs tors. theta energy: -248.521
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: 4, replica: 3
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -2497.163924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2497.163924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2502.855393 (E_RNA)
where:
Base-Base interactions energy: -1733.009
where: short stacking energy: -736.937
Base-Backbone interact. energy: -5.288
local terms energy: -764.558611
where:
bonds (distance) C4'-P energy: -126.049
bonds (distance) P-C4' energy: -138.687
flat angles C4'-P-C4' energy: -173.831
flat angles P-C4'-P energy: -102.823
tors. eta vs tors. theta energy: -223.168
Dist. restrs. and SS energy: 5.691 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -2475.126859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2475.126859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2480.341612 (E_RNA)
where:
Base-Base interactions energy: -1753.435
where: short stacking energy: -718.974
Base-Backbone interact. energy: -0.152
local terms energy: -726.754110
where:
bonds (distance) C4'-P energy: -138.476
bonds (distance) P-C4' energy: -128.501
flat angles C4'-P-C4' energy: -151.027
flat angles P-C4'-P energy: -104.737
tors. eta vs tors. theta energy: -204.014
Dist. restrs. and SS energy: 5.215 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -2378.334020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2378.334020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2387.771832 (E_RNA)
where:
Base-Base interactions energy: -1680.542
where: short stacking energy: -715.626
Base-Backbone interact. energy: -3.277
local terms energy: -703.952678
where:
bonds (distance) C4'-P energy: -133.332
bonds (distance) P-C4' energy: -131.978
flat angles C4'-P-C4' energy: -149.227
flat angles P-C4'-P energy: -86.824
tors. eta vs tors. theta energy: -202.592
Dist. restrs. and SS energy: 9.438 (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: 7
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -2323.347652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2323.347652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2328.280862 (E_RNA)
where:
Base-Base interactions energy: -1646.279
where: short stacking energy: -673.494
Base-Backbone interact. energy: -5.331
local terms energy: -676.670508
where:
bonds (distance) C4'-P energy: -130.970
bonds (distance) P-C4' energy: -110.920
flat angles C4'-P-C4' energy: -143.008
flat angles P-C4'-P energy: -89.083
tors. eta vs tors. theta energy: -202.690
Dist. restrs. and SS energy: 4.933 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -2227.726296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2227.726296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2240.948596 (E_RNA)
where:
Base-Base interactions energy: -1597.624
where: short stacking energy: -648.045
Base-Backbone interact. energy: -1.061
local terms energy: -642.263507
where:
bonds (distance) C4'-P energy: -113.413
bonds (distance) P-C4' energy: -135.800
flat angles C4'-P-C4' energy: -130.895
flat angles P-C4'-P energy: -77.970
tors. eta vs tors. theta energy: -184.186
Dist. restrs. and SS energy: 13.222 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -2061.147749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2061.147749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.057939 (E_RNA)
where:
Base-Base interactions energy: -1414.567
where: short stacking energy: -611.157
Base-Backbone interact. energy: 1.949
local terms energy: -658.440410
where:
bonds (distance) C4'-P energy: -115.979
bonds (distance) P-C4' energy: -120.006
flat angles C4'-P-C4' energy: -144.372
flat angles P-C4'-P energy: -96.615
tors. eta vs tors. theta energy: -181.468
Dist. restrs. and SS energy: 9.910 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -1965.955082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1965.955082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1981.605841 (E_RNA)
where:
Base-Base interactions energy: -1426.523
where: short stacking energy: -596.948
Base-Backbone interact. energy: -2.892
local terms energy: -552.191354
where:
bonds (distance) C4'-P energy: -83.144
bonds (distance) P-C4' energy: -103.307
flat angles C4'-P-C4' energy: -133.142
flat angles P-C4'-P energy: -71.559
tors. eta vs tors. theta energy: -161.038
Dist. restrs. and SS energy: 15.651 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -2755.281144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2755.281144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2762.455273 (E_RNA)
where:
Base-Base interactions energy: -1956.322
where: short stacking energy: -806.074
Base-Backbone interact. energy: 2.236
local terms energy: -808.368826
where:
bonds (distance) C4'-P energy: -137.452
bonds (distance) P-C4' energy: -144.901
flat angles C4'-P-C4' energy: -174.635
flat angles P-C4'-P energy: -107.796
tors. eta vs tors. theta energy: -243.585
Dist. restrs. and SS energy: 7.174 (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: 2
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -2710.847572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2710.847572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2714.803680 (E_RNA)
where:
Base-Base interactions energy: -1903.298
where: short stacking energy: -783.487
Base-Backbone interact. energy: -5.780
local terms energy: -805.725545
where:
bonds (distance) C4'-P energy: -137.546
bonds (distance) P-C4' energy: -153.876
flat angles C4'-P-C4' energy: -167.800
flat angles P-C4'-P energy: -115.774
tors. eta vs tors. theta energy: -230.730
Dist. restrs. and SS energy: 3.956 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -2585.963278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2585.963278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2589.771222 (E_RNA)
where:
Base-Base interactions energy: -1827.154
where: short stacking energy: -786.935
Base-Backbone interact. energy: -4.247
local terms energy: -758.369420
where:
bonds (distance) C4'-P energy: -127.420
bonds (distance) P-C4' energy: -138.487
flat angles C4'-P-C4' energy: -153.515
flat angles P-C4'-P energy: -109.381
tors. eta vs tors. theta energy: -229.567
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: 4, replica: 3
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -2515.088697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2515.088697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2526.254063 (E_RNA)
where:
Base-Base interactions energy: -1737.278
where: short stacking energy: -731.154
Base-Backbone interact. energy: -0.062
local terms energy: -788.913994
where:
bonds (distance) C4'-P energy: -138.429
bonds (distance) P-C4' energy: -133.126
flat angles C4'-P-C4' energy: -157.922
flat angles P-C4'-P energy: -122.455
tors. eta vs tors. theta energy: -236.982
Dist. restrs. and SS energy: 11.165 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -2466.790897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2466.790897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2475.522327 (E_RNA)
where:
Base-Base interactions energy: -1716.856
where: short stacking energy: -717.694
Base-Backbone interact. energy: -1.852
local terms energy: -756.813420
where:
bonds (distance) C4'-P energy: -128.200
bonds (distance) P-C4' energy: -140.998
flat angles C4'-P-C4' energy: -157.183
flat angles P-C4'-P energy: -109.510
tors. eta vs tors. theta energy: -220.923
Dist. restrs. and SS energy: 8.731 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -2358.635770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2358.635770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2367.103197 (E_RNA)
where:
Base-Base interactions energy: -1671.817
where: short stacking energy: -697.013
Base-Backbone interact. energy: -1.799
local terms energy: -693.487542
where:
bonds (distance) C4'-P energy: -126.301
bonds (distance) P-C4' energy: -115.224
flat angles C4'-P-C4' energy: -152.247
flat angles P-C4'-P energy: -94.733
tors. eta vs tors. theta energy: -204.983
Dist. restrs. and SS energy: 8.467 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -2299.897464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2299.897464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2304.278050 (E_RNA)
where:
Base-Base interactions energy: -1636.501
where: short stacking energy: -692.323
Base-Backbone interact. energy: -2.387
local terms energy: -665.390065
where:
bonds (distance) C4'-P energy: -108.884
bonds (distance) P-C4' energy: -118.247
flat angles C4'-P-C4' energy: -145.008
flat angles P-C4'-P energy: -90.561
tors. eta vs tors. theta energy: -202.690
Dist. restrs. and SS energy: 4.381 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -2200.727206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2200.727206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2207.880836 (E_RNA)
where:
Base-Base interactions energy: -1539.476
where: short stacking energy: -653.991
Base-Backbone interact. energy: -2.161
local terms energy: -666.244181
where:
bonds (distance) C4'-P energy: -121.551
bonds (distance) P-C4' energy: -111.448
flat angles C4'-P-C4' energy: -154.387
flat angles P-C4'-P energy: -91.445
tors. eta vs tors. theta energy: -187.414
Dist. restrs. and SS energy: 7.154 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -2039.143395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2039.143395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2055.416353 (E_RNA)
where:
Base-Base interactions energy: -1455.500
where: short stacking energy: -616.366
Base-Backbone interact. energy: 2.963
local terms energy: -602.879264
where:
bonds (distance) C4'-P energy: -86.950
bonds (distance) P-C4' energy: -110.450
flat angles C4'-P-C4' energy: -138.203
flat angles P-C4'-P energy: -92.084
tors. eta vs tors. theta energy: -175.192
Dist. restrs. and SS energy: 16.273 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -2001.300352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2001.300352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2020.246010 (E_RNA)
where:
Base-Base interactions energy: -1403.598
where: short stacking energy: -584.694
Base-Backbone interact. energy: 3.460
local terms energy: -620.108229
where:
bonds (distance) C4'-P energy: -113.220
bonds (distance) P-C4' energy: -124.229
flat angles C4'-P-C4' energy: -139.247
flat angles P-C4'-P energy: -82.116
tors. eta vs tors. theta energy: -161.296
Dist. restrs. and SS energy: 18.946 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -2747.431297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2747.431297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2751.220650 (E_RNA)
where:
Base-Base interactions energy: -1925.877
where: short stacking energy: -810.085
Base-Backbone interact. energy: -3.015
local terms energy: -822.328823
where:
bonds (distance) C4'-P energy: -134.515
bonds (distance) P-C4' energy: -155.487
flat angles C4'-P-C4' energy: -163.026
flat angles P-C4'-P energy: -122.830
tors. eta vs tors. theta energy: -246.471
Dist. restrs. and SS energy: 3.789 (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: 2
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -2716.053447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2716.053447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2719.917872 (E_RNA)
where:
Base-Base interactions energy: -1921.106
where: short stacking energy: -801.803
Base-Backbone interact. energy: -0.733
local terms energy: -798.079200
where:
bonds (distance) C4'-P energy: -139.628
bonds (distance) P-C4' energy: -130.526
flat angles C4'-P-C4' energy: -166.609
flat angles P-C4'-P energy: -116.565
tors. eta vs tors. theta energy: -244.751
Dist. restrs. and SS energy: 3.864 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -2602.418195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2602.418195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2606.799935 (E_RNA)
where:
Base-Base interactions energy: -1824.952
where: short stacking energy: -774.509
Base-Backbone interact. energy: 0.190
local terms energy: -782.037430
where:
bonds (distance) C4'-P energy: -127.161
bonds (distance) P-C4' energy: -143.478
flat angles C4'-P-C4' energy: -164.451
flat angles P-C4'-P energy: -102.942
tors. eta vs tors. theta energy: -244.005
Dist. restrs. and SS energy: 4.382 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -2510.901431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2510.901431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2519.916517 (E_RNA)
where:
Base-Base interactions energy: -1744.317
where: short stacking energy: -754.077
Base-Backbone interact. energy: -2.610
local terms energy: -772.988852
where:
bonds (distance) C4'-P energy: -135.840
bonds (distance) P-C4' energy: -154.100
flat angles C4'-P-C4' energy: -154.220
flat angles P-C4'-P energy: -101.844
tors. eta vs tors. theta energy: -226.985
Dist. restrs. and SS energy: 9.015 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -2473.888838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2473.888838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2476.762487 (E_RNA)
where:
Base-Base interactions energy: -1766.455
where: short stacking energy: -745.764
Base-Backbone interact. energy: 1.243
local terms energy: -711.550082
where:
bonds (distance) C4'-P energy: -129.639
bonds (distance) P-C4' energy: -110.071
flat angles C4'-P-C4' energy: -158.721
flat angles P-C4'-P energy: -91.664
tors. eta vs tors. theta energy: -221.455
Dist. restrs. and SS energy: 2.874 (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: 9
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -2339.289865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2339.289865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2345.042265 (E_RNA)
where:
Base-Base interactions energy: -1674.180
where: short stacking energy: -690.744
Base-Backbone interact. energy: -2.941
local terms energy: -667.920757
where:
bonds (distance) C4'-P energy: -110.315
bonds (distance) P-C4' energy: -129.826
flat angles C4'-P-C4' energy: -133.434
flat angles P-C4'-P energy: -82.887
tors. eta vs tors. theta energy: -211.459
Dist. restrs. and SS energy: 5.752 (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: 7
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -2275.373927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2275.373927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2280.308002 (E_RNA)
where:
Base-Base interactions energy: -1625.919
where: short stacking energy: -691.171
Base-Backbone interact. energy: -1.340
local terms energy: -653.048345
where:
bonds (distance) C4'-P energy: -117.465
bonds (distance) P-C4' energy: -100.625
flat angles C4'-P-C4' energy: -153.812
flat angles P-C4'-P energy: -85.477
tors. eta vs tors. theta energy: -195.670
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: 8, replica: 10
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -2185.610782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2185.610782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2199.119838 (E_RNA)
where:
Base-Base interactions energy: -1544.353
where: short stacking energy: -633.159
Base-Backbone interact. energy: 4.048
local terms energy: -658.814599
where:
bonds (distance) C4'-P energy: -135.231
bonds (distance) P-C4' energy: -119.626
flat angles C4'-P-C4' energy: -156.247
flat angles P-C4'-P energy: -69.996
tors. eta vs tors. theta energy: -177.715
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: 4
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -2093.869911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2093.869911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2113.306842 (E_RNA)
where:
Base-Base interactions energy: -1468.614
where: short stacking energy: -641.833
Base-Backbone interact. energy: 3.672
local terms energy: -648.364938
where:
bonds (distance) C4'-P energy: -130.809
bonds (distance) P-C4' energy: -111.301
flat angles C4'-P-C4' energy: -138.953
flat angles P-C4'-P energy: -78.825
tors. eta vs tors. theta energy: -188.477
Dist. restrs. and SS energy: 19.437 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -1940.436921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1940.436921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.767046 (E_RNA)
where:
Base-Base interactions energy: -1395.791
where: short stacking energy: -585.362
Base-Backbone interact. energy: 2.447
local terms energy: -567.423582
where:
bonds (distance) C4'-P energy: -89.916
bonds (distance) P-C4' energy: -102.877
flat angles C4'-P-C4' energy: -141.677
flat angles P-C4'-P energy: -81.156
tors. eta vs tors. theta energy: -151.798
Dist. restrs. and SS energy: 20.330 (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: 5
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -2728.603632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2728.603632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2732.358310 (E_RNA)
where:
Base-Base interactions energy: -1915.038
where: short stacking energy: -803.770
Base-Backbone interact. energy: 1.720
local terms energy: -819.039641
where:
bonds (distance) C4'-P energy: -137.574
bonds (distance) P-C4' energy: -152.485
flat angles C4'-P-C4' energy: -167.646
flat angles P-C4'-P energy: -122.630
tors. eta vs tors. theta energy: -238.705
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: 2, replica: 8
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -2678.444109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2678.444109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2682.866731 (E_RNA)
where:
Base-Base interactions energy: -1876.325
where: short stacking energy: -811.921
Base-Backbone interact. energy: -0.968
local terms energy: -805.573381
where:
bonds (distance) C4'-P energy: -152.401
bonds (distance) P-C4' energy: -134.199
flat angles C4'-P-C4' energy: -162.451
flat angles P-C4'-P energy: -112.180
tors. eta vs tors. theta energy: -244.343
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: 3, replica: 2
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -2667.273192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2667.273192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2671.525654 (E_RNA)
where:
Base-Base interactions energy: -1875.590
where: short stacking energy: -778.484
Base-Backbone interact. energy: -3.800
local terms energy: -792.135360
where:
bonds (distance) C4'-P energy: -136.743
bonds (distance) P-C4' energy: -145.827
flat angles C4'-P-C4' energy: -171.266
flat angles P-C4'-P energy: -108.946
tors. eta vs tors. theta energy: -229.353
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: 1
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -2562.889888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2562.889888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2565.251440 (E_RNA)
where:
Base-Base interactions energy: -1782.788
where: short stacking energy: -776.183
Base-Backbone interact. energy: -2.969
local terms energy: -779.495158
where:
bonds (distance) C4'-P energy: -129.617
bonds (distance) P-C4' energy: -140.976
flat angles C4'-P-C4' energy: -159.529
flat angles P-C4'-P energy: -116.360
tors. eta vs tors. theta energy: -233.013
Dist. restrs. and SS energy: 2.362 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -2447.900044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2447.900044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2456.297675 (E_RNA)
where:
Base-Base interactions energy: -1709.931
where: short stacking energy: -736.858
Base-Backbone interact. energy: -4.659
local terms energy: -741.708376
where:
bonds (distance) C4'-P energy: -123.861
bonds (distance) P-C4' energy: -125.752
flat angles C4'-P-C4' energy: -168.189
flat angles P-C4'-P energy: -99.285
tors. eta vs tors. theta energy: -224.622
Dist. restrs. and SS energy: 8.398 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -2374.955663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2374.955663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2383.269132 (E_RNA)
where:
Base-Base interactions energy: -1662.438
where: short stacking energy: -692.367
Base-Backbone interact. energy: -2.336
local terms energy: -718.495329
where:
bonds (distance) C4'-P energy: -117.537
bonds (distance) P-C4' energy: -134.014
flat angles C4'-P-C4' energy: -159.291
flat angles P-C4'-P energy: -96.271
tors. eta vs tors. theta energy: -211.382
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: 7, replica: 7
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -2306.646836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2306.646836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2312.011585 (E_RNA)
where:
Base-Base interactions energy: -1631.040
where: short stacking energy: -676.356
Base-Backbone interact. energy: -1.305
local terms energy: -679.666242
where:
bonds (distance) C4'-P energy: -116.851
bonds (distance) P-C4' energy: -119.614
flat angles C4'-P-C4' energy: -144.798
flat angles P-C4'-P energy: -89.301
tors. eta vs tors. theta energy: -209.103
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: 8, replica: 10
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -2209.576893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2209.576893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2221.661606 (E_RNA)
where:
Base-Base interactions energy: -1584.415
where: short stacking energy: -665.361
Base-Backbone interact. energy: -2.781
local terms energy: -634.465104
where:
bonds (distance) C4'-P energy: -85.069
bonds (distance) P-C4' energy: -120.093
flat angles C4'-P-C4' energy: -142.731
flat angles P-C4'-P energy: -87.868
tors. eta vs tors. theta energy: -198.705
Dist. restrs. and SS energy: 12.085 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -2024.891282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2024.891282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2051.641953 (E_RNA)
where:
Base-Base interactions energy: -1412.497
where: short stacking energy: -599.858
Base-Backbone interact. energy: -1.465
local terms energy: -637.679381
where:
bonds (distance) C4'-P energy: -119.748
bonds (distance) P-C4' energy: -124.283
flat angles C4'-P-C4' energy: -130.721
flat angles P-C4'-P energy: -90.912
tors. eta vs tors. theta energy: -172.015
Dist. restrs. and SS energy: 26.751 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -1921.720041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1921.720041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.254731 (E_RNA)
where:
Base-Base interactions energy: -1343.108
where: short stacking energy: -525.867
Base-Backbone interact. energy: -0.087
local terms energy: -599.059389
where:
bonds (distance) C4'-P energy: -116.541
bonds (distance) P-C4' energy: -102.384
flat angles C4'-P-C4' energy: -145.596
flat angles P-C4'-P energy: -92.597
tors. eta vs tors. theta energy: -141.941
Dist. restrs. and SS energy: 20.535 (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: 5
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -2738.677650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2738.677650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2742.379411 (E_RNA)
where:
Base-Base interactions energy: -1918.558
where: short stacking energy: -791.844
Base-Backbone interact. energy: -2.195
local terms energy: -821.626364
where:
bonds (distance) C4'-P energy: -129.504
bonds (distance) P-C4' energy: -156.120
flat angles C4'-P-C4' energy: -177.919
flat angles P-C4'-P energy: -122.615
tors. eta vs tors. theta energy: -235.469
Dist. restrs. and SS energy: 3.702 (S_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: 466
Temperature: 0.950000
Total energy: -2675.320800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2675.320800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2679.305256 (E_RNA)
where:
Base-Base interactions energy: -1865.089
where: short stacking energy: -809.036
Base-Backbone interact. energy: -1.727
local terms energy: -812.489936
where:
bonds (distance) C4'-P energy: -132.565
bonds (distance) P-C4' energy: -139.766
flat angles C4'-P-C4' energy: -179.258
flat angles P-C4'-P energy: -122.134
tors. eta vs tors. theta energy: -238.766
Dist. restrs. and SS energy: 3.984 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -2697.512032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2697.512032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2700.194536 (E_RNA)
where:
Base-Base interactions energy: -1900.982
where: short stacking energy: -792.795
Base-Backbone interact. energy: -3.575
local terms energy: -795.638450
where:
bonds (distance) C4'-P energy: -134.803
bonds (distance) P-C4' energy: -139.157
flat angles C4'-P-C4' energy: -164.351
flat angles P-C4'-P energy: -125.270
tors. eta vs tors. theta energy: -232.057
Dist. restrs. and SS energy: 2.683 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -2563.867444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2563.867444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2568.954754 (E_RNA)
where:
Base-Base interactions energy: -1820.320
where: short stacking energy: -772.998
Base-Backbone interact. energy: -4.047
local terms energy: -744.587886
where:
bonds (distance) C4'-P energy: -119.014
bonds (distance) P-C4' energy: -137.944
flat angles C4'-P-C4' energy: -166.975
flat angles P-C4'-P energy: -96.414
tors. eta vs tors. theta energy: -224.240
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: 5, replica: 3
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -2456.823000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2456.823000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2463.638589 (E_RNA)
where:
Base-Base interactions energy: -1704.916
where: short stacking energy: -739.400
Base-Backbone interact. energy: -3.686
local terms energy: -755.036197
where:
bonds (distance) C4'-P energy: -130.557
bonds (distance) P-C4' energy: -130.470
flat angles C4'-P-C4' energy: -166.474
flat angles P-C4'-P energy: -99.929
tors. eta vs tors. theta energy: -227.606
Dist. restrs. and SS energy: 6.816 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -2361.256253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2361.256253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2366.988849 (E_RNA)
where:
Base-Base interactions energy: -1659.878
where: short stacking energy: -693.790
Base-Backbone interact. energy: -0.219
local terms energy: -706.892072
where:
bonds (distance) C4'-P energy: -116.492
bonds (distance) P-C4' energy: -124.519
flat angles C4'-P-C4' energy: -157.399
flat angles P-C4'-P energy: -97.094
tors. eta vs tors. theta energy: -211.388
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: 7
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -2314.769969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2314.769969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2326.108413 (E_RNA)
where:
Base-Base interactions energy: -1633.079
where: short stacking energy: -682.319
Base-Backbone interact. energy: -0.965
local terms energy: -692.064178
where:
bonds (distance) C4'-P energy: -111.573
bonds (distance) P-C4' energy: -129.040
flat angles C4'-P-C4' energy: -152.320
flat angles P-C4'-P energy: -93.478
tors. eta vs tors. theta energy: -205.653
Dist. restrs. and SS energy: 11.338 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -2226.783071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2226.783071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2233.956180 (E_RNA)
where:
Base-Base interactions energy: -1567.109
where: short stacking energy: -632.113
Base-Backbone interact. energy: -2.474
local terms energy: -664.373183
where:
bonds (distance) C4'-P energy: -113.173
bonds (distance) P-C4' energy: -135.586
flat angles C4'-P-C4' energy: -136.888
flat angles P-C4'-P energy: -95.581
tors. eta vs tors. theta energy: -183.145
Dist. restrs. and SS energy: 7.173 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -2094.253129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2094.253129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2114.259837 (E_RNA)
where:
Base-Base interactions energy: -1489.008
where: short stacking energy: -618.492
Base-Backbone interact. energy: -0.374
local terms energy: -624.877588
where:
bonds (distance) C4'-P energy: -110.549
bonds (distance) P-C4' energy: -106.967
flat angles C4'-P-C4' energy: -138.758
flat angles P-C4'-P energy: -81.085
tors. eta vs tors. theta energy: -187.519
Dist. restrs. and SS energy: 20.007 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -1956.584193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.584193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1975.088521 (E_RNA)
where:
Base-Base interactions energy: -1408.673
where: short stacking energy: -572.248
Base-Backbone interact. energy: -4.291
local terms energy: -562.124877
where:
bonds (distance) C4'-P energy: -105.561
bonds (distance) P-C4' energy: -101.776
flat angles C4'-P-C4' energy: -139.285
flat angles P-C4'-P energy: -63.623
tors. eta vs tors. theta energy: -151.881
Dist. restrs. and SS energy: 18.504 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -2761.343802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2761.343802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2768.054518 (E_RNA)
where:
Base-Base interactions energy: -1952.215
where: short stacking energy: -823.469
Base-Backbone interact. energy: -0.015
local terms energy: -815.824414
where:
bonds (distance) C4'-P energy: -145.218
bonds (distance) P-C4' energy: -149.766
flat angles C4'-P-C4' energy: -158.692
flat angles P-C4'-P energy: -125.507
tors. eta vs tors. theta energy: -236.642
Dist. restrs. and SS energy: 6.711 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -2674.001528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2674.001528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2678.255161 (E_RNA)
where:
Base-Base interactions energy: -1888.802
where: short stacking energy: -790.260
Base-Backbone interact. energy: 1.358
local terms energy: -790.810936
where:
bonds (distance) C4'-P energy: -140.346
bonds (distance) P-C4' energy: -137.812
flat angles C4'-P-C4' energy: -163.308
flat angles P-C4'-P energy: -111.789
tors. eta vs tors. theta energy: -237.556
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: 3, replica: 2
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -2629.513252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2629.513252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2634.538904 (E_RNA)
where:
Base-Base interactions energy: -1848.822
where: short stacking energy: -790.790
Base-Backbone interact. energy: -3.896
local terms energy: -781.820844
where:
bonds (distance) C4'-P energy: -135.656
bonds (distance) P-C4' energy: -134.384
flat angles C4'-P-C4' energy: -170.432
flat angles P-C4'-P energy: -101.005
tors. eta vs tors. theta energy: -240.344
Dist. restrs. and SS energy: 5.026 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -2586.443930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2586.443930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2588.809836 (E_RNA)
where:
Base-Base interactions energy: -1815.121
where: short stacking energy: -765.389
Base-Backbone interact. energy: -3.934
local terms energy: -769.754685
where:
bonds (distance) C4'-P energy: -135.248
bonds (distance) P-C4' energy: -133.882
flat angles C4'-P-C4' energy: -158.011
flat angles P-C4'-P energy: -107.220
tors. eta vs tors. theta energy: -235.394
Dist. restrs. and SS energy: 2.366 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -2505.090792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2505.090792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2510.806985 (E_RNA)
where:
Base-Base interactions energy: -1794.571
where: short stacking energy: -742.345
Base-Backbone interact. energy: -2.792
local terms energy: -713.444300
where:
bonds (distance) C4'-P energy: -126.585
bonds (distance) P-C4' energy: -124.636
flat angles C4'-P-C4' energy: -159.713
flat angles P-C4'-P energy: -84.823
tors. eta vs tors. theta energy: -217.687
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: 6, replica: 9
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -2395.609956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2395.609956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2406.474677 (E_RNA)
where:
Base-Base interactions energy: -1719.502
where: short stacking energy: -715.870
Base-Backbone interact. energy: -1.845
local terms energy: -685.128123
where:
bonds (distance) C4'-P energy: -111.730
bonds (distance) P-C4' energy: -125.847
flat angles C4'-P-C4' energy: -149.974
flat angles P-C4'-P energy: -86.987
tors. eta vs tors. theta energy: -210.590
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: 7, replica: 7
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -2320.265749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2320.265749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2324.893618 (E_RNA)
where:
Base-Base interactions energy: -1620.461
where: short stacking energy: -684.315
Base-Backbone interact. energy: 3.928
local terms energy: -708.361139
where:
bonds (distance) C4'-P energy: -119.242
bonds (distance) P-C4' energy: -121.232
flat angles C4'-P-C4' energy: -155.238
flat angles P-C4'-P energy: -100.545
tors. eta vs tors. theta energy: -212.104
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: 8, replica: 10
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -2196.380075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2196.380075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2208.720072 (E_RNA)
where:
Base-Base interactions energy: -1574.024
where: short stacking energy: -655.304
Base-Backbone interact. energy: 0.973
local terms energy: -635.668588
where:
bonds (distance) C4'-P energy: -111.784
bonds (distance) P-C4' energy: -115.699
flat angles C4'-P-C4' energy: -135.974
flat angles P-C4'-P energy: -81.274
tors. eta vs tors. theta energy: -190.937
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: 4
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -2051.324201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2051.324201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2065.669327 (E_RNA)
where:
Base-Base interactions energy: -1448.852
where: short stacking energy: -605.605
Base-Backbone interact. energy: 3.485
local terms energy: -620.302559
where:
bonds (distance) C4'-P energy: -107.051
bonds (distance) P-C4' energy: -126.235
flat angles C4'-P-C4' energy: -145.008
flat angles P-C4'-P energy: -72.405
tors. eta vs tors. theta energy: -169.604
Dist. restrs. and SS energy: 14.345 (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: 6
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -1941.842853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1941.842853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1969.609431 (E_RNA)
where:
Base-Base interactions energy: -1391.439
where: short stacking energy: -579.358
Base-Backbone interact. energy: -2.425
local terms energy: -575.745362
where:
bonds (distance) C4'-P energy: -99.676
bonds (distance) P-C4' energy: -105.465
flat angles C4'-P-C4' energy: -126.755
flat angles P-C4'-P energy: -78.236
tors. eta vs tors. theta energy: -165.613
Dist. restrs. and SS energy: 27.767 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -2748.246978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2748.246978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2752.867416 (E_RNA)
where:
Base-Base interactions energy: -1929.463
where: short stacking energy: -806.298
Base-Backbone interact. energy: 3.707
local terms energy: -827.112088
where:
bonds (distance) C4'-P energy: -150.301
bonds (distance) P-C4' energy: -145.631
flat angles C4'-P-C4' energy: -178.871
flat angles P-C4'-P energy: -111.632
tors. eta vs tors. theta energy: -240.677
Dist. restrs. and SS energy: 4.620 (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: 8
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -2693.943338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2693.943338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2698.285147 (E_RNA)
where:
Base-Base interactions energy: -1897.161
where: short stacking energy: -837.972
Base-Backbone interact. energy: -3.681
local terms energy: -797.443052
where:
bonds (distance) C4'-P energy: -136.831
bonds (distance) P-C4' energy: -149.668
flat angles C4'-P-C4' energy: -156.657
flat angles P-C4'-P energy: -103.373
tors. eta vs tors. theta energy: -250.914
Dist. restrs. and SS energy: 4.342 (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: 2
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -2646.229112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2646.229112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2650.758991 (E_RNA)
where:
Base-Base interactions energy: -1848.294
where: short stacking energy: -793.043
Base-Backbone interact. energy: -1.244
local terms energy: -801.220246
where:
bonds (distance) C4'-P energy: -138.587
bonds (distance) P-C4' energy: -142.761
flat angles C4'-P-C4' energy: -162.592
flat angles P-C4'-P energy: -121.607
tors. eta vs tors. theta energy: -235.673
Dist. restrs. and SS energy: 4.530 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -2556.738260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2556.738260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2562.828994 (E_RNA)
where:
Base-Base interactions energy: -1770.406
where: short stacking energy: -749.581
Base-Backbone interact. energy: -1.624
local terms energy: -790.798733
where:
bonds (distance) C4'-P energy: -137.253
bonds (distance) P-C4' energy: -142.387
flat angles C4'-P-C4' energy: -167.910
flat angles P-C4'-P energy: -113.426
tors. eta vs tors. theta energy: -229.822
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: 5, replica: 3
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -2474.603216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2474.603216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2485.355042 (E_RNA)
where:
Base-Base interactions energy: -1747.385
where: short stacking energy: -757.734
Base-Backbone interact. energy: -1.755
local terms energy: -736.214362
where:
bonds (distance) C4'-P energy: -115.339
bonds (distance) P-C4' energy: -119.096
flat angles C4'-P-C4' energy: -163.389
flat angles P-C4'-P energy: -113.763
tors. eta vs tors. theta energy: -224.628
Dist. restrs. and SS energy: 10.752 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -2345.091869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2345.091869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2353.925384 (E_RNA)
where:
Base-Base interactions energy: -1648.002
where: short stacking energy: -700.660
Base-Backbone interact. energy: -1.857
local terms energy: -704.066895
where:
bonds (distance) C4'-P energy: -118.344
bonds (distance) P-C4' energy: -124.097
flat angles C4'-P-C4' energy: -150.907
flat angles P-C4'-P energy: -96.356
tors. eta vs tors. theta energy: -214.363
Dist. restrs. and SS energy: 8.834 (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: 7
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -2295.439697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2295.439697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2305.471889 (E_RNA)
where:
Base-Base interactions energy: -1637.858
where: short stacking energy: -691.795
Base-Backbone interact. energy: 1.547
local terms energy: -669.160374
where:
bonds (distance) C4'-P energy: -115.126
bonds (distance) P-C4' energy: -119.751
flat angles C4'-P-C4' energy: -139.072
flat angles P-C4'-P energy: -93.772
tors. eta vs tors. theta energy: -201.439
Dist. restrs. and SS energy: 10.032 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -2238.916542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2238.916542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2246.016422 (E_RNA)
where:
Base-Base interactions energy: -1608.615
where: short stacking energy: -678.191
Base-Backbone interact. energy: 1.875
local terms energy: -639.276847
where:
bonds (distance) C4'-P energy: -106.856
bonds (distance) P-C4' energy: -115.538
flat angles C4'-P-C4' energy: -143.385
flat angles P-C4'-P energy: -78.884
tors. eta vs tors. theta energy: -194.613
Dist. restrs. and SS energy: 7.100 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -2110.309002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2110.309002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2129.847323 (E_RNA)
where:
Base-Base interactions energy: -1481.456
where: short stacking energy: -614.598
Base-Backbone interact. energy: -2.637
local terms energy: -645.754218
where:
bonds (distance) C4'-P energy: -118.776
bonds (distance) P-C4' energy: -113.910
flat angles C4'-P-C4' energy: -151.037
flat angles P-C4'-P energy: -86.089
tors. eta vs tors. theta energy: -175.943
Dist. restrs. and SS energy: 19.538 (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: 468
Temperature: 1.350000
Total energy: -1996.126118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1996.126118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2010.369796 (E_RNA)
where:
Base-Base interactions energy: -1420.710
where: short stacking energy: -570.257
Base-Backbone interact. energy: 8.431
local terms energy: -598.091126
where:
bonds (distance) C4'-P energy: -102.024
bonds (distance) P-C4' energy: -125.505
flat angles C4'-P-C4' energy: -128.263
flat angles P-C4'-P energy: -85.245
tors. eta vs tors. theta energy: -157.054
Dist. restrs. and SS energy: 14.244 (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: 5
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -2774.849581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2774.849581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2778.817544 (E_RNA)
where:
Base-Base interactions energy: -1950.474
where: short stacking energy: -830.753
Base-Backbone interact. energy: -1.722
local terms energy: -826.621157
where:
bonds (distance) C4'-P energy: -145.799
bonds (distance) P-C4' energy: -147.618
flat angles C4'-P-C4' energy: -173.956
flat angles P-C4'-P energy: -128.890
tors. eta vs tors. theta energy: -230.359
Dist. restrs. and SS energy: 3.968 (S_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: 469
Temperature: 0.950000
Total energy: -2687.089773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2687.089773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2690.457905 (E_RNA)
where:
Base-Base interactions energy: -1862.808
where: short stacking energy: -804.337
Base-Backbone interact. energy: 0.391
local terms energy: -828.040906
where:
bonds (distance) C4'-P energy: -143.836
bonds (distance) P-C4' energy: -157.522
flat angles C4'-P-C4' energy: -176.362
flat angles P-C4'-P energy: -112.990
tors. eta vs tors. theta energy: -237.331
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: 3, replica: 2
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -2667.479637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2667.479637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2669.300144 (E_RNA)
where:
Base-Base interactions energy: -1878.239
where: short stacking energy: -808.370
Base-Backbone interact. energy: 5.453
local terms energy: -796.513498
where:
bonds (distance) C4'-P energy: -142.286
bonds (distance) P-C4' energy: -137.466
flat angles C4'-P-C4' energy: -164.157
flat angles P-C4'-P energy: -106.478
tors. eta vs tors. theta energy: -246.127
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: 1
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -2545.883462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2545.883462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2548.313973 (E_RNA)
where:
Base-Base interactions energy: -1796.785
where: short stacking energy: -733.627
Base-Backbone interact. energy: -3.722
local terms energy: -747.807032
where:
bonds (distance) C4'-P energy: -129.328
bonds (distance) P-C4' energy: -139.214
flat angles C4'-P-C4' energy: -149.901
flat angles P-C4'-P energy: -108.505
tors. eta vs tors. theta energy: -220.858
Dist. restrs. and SS energy: 2.431 (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: 3
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -2462.236400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2462.236400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2471.855577 (E_RNA)
where:
Base-Base interactions energy: -1724.922
where: short stacking energy: -730.754
Base-Backbone interact. energy: 6.306
local terms energy: -753.239759
where:
bonds (distance) C4'-P energy: -139.709
bonds (distance) P-C4' energy: -134.103
flat angles C4'-P-C4' energy: -160.742
flat angles P-C4'-P energy: -103.218
tors. eta vs tors. theta energy: -215.467
Dist. restrs. and SS energy: 9.619 (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: 9
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -2373.185606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2373.185606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2379.143279 (E_RNA)
where:
Base-Base interactions energy: -1670.997
where: short stacking energy: -692.082
Base-Backbone interact. energy: -1.936
local terms energy: -706.210992
where:
bonds (distance) C4'-P energy: -125.961
bonds (distance) P-C4' energy: -131.790
flat angles C4'-P-C4' energy: -151.322
flat angles P-C4'-P energy: -98.109
tors. eta vs tors. theta energy: -199.030
Dist. restrs. and SS energy: 5.958 (S_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: 469
Temperature: 1.200000
Total energy: -2294.472801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2294.472801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2297.526086 (E_RNA)
where:
Base-Base interactions energy: -1626.562
where: short stacking energy: -689.653
Base-Backbone interact. energy: -1.471
local terms energy: -669.492814
where:
bonds (distance) C4'-P energy: -116.244
bonds (distance) P-C4' energy: -129.356
flat angles C4'-P-C4' energy: -146.057
flat angles P-C4'-P energy: -82.062
tors. eta vs tors. theta energy: -195.774
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: 8, replica: 10
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -2194.986832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2194.986832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2203.740682 (E_RNA)
where:
Base-Base interactions energy: -1516.993
where: short stacking energy: -619.271
Base-Backbone interact. energy: 1.409
local terms energy: -688.156793
where:
bonds (distance) C4'-P energy: -147.460
bonds (distance) P-C4' energy: -115.195
flat angles C4'-P-C4' energy: -146.143
flat angles P-C4'-P energy: -96.899
tors. eta vs tors. theta energy: -182.460
Dist. restrs. and SS energy: 8.754 (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: 4
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -2097.764987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2097.764987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2110.419033 (E_RNA)
where:
Base-Base interactions energy: -1471.500
where: short stacking energy: -620.441
Base-Backbone interact. energy: -4.116
local terms energy: -634.803648
where:
bonds (distance) C4'-P energy: -110.771
bonds (distance) P-C4' energy: -124.727
flat angles C4'-P-C4' energy: -134.539
flat angles P-C4'-P energy: -79.766
tors. eta vs tors. theta energy: -185.001
Dist. restrs. and SS energy: 12.654 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -1953.307748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.307748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.755743 (E_RNA)
where:
Base-Base interactions energy: -1414.736
where: short stacking energy: -583.302
Base-Backbone interact. energy: -2.809
local terms energy: -549.211448
where:
bonds (distance) C4'-P energy: -96.651
bonds (distance) P-C4' energy: -107.914
flat angles C4'-P-C4' energy: -131.216
flat angles P-C4'-P energy: -55.463
tors. eta vs tors. theta energy: -157.967
Dist. restrs. and SS energy: 13.448 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -2744.766847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2744.766847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2750.227663 (E_RNA)
where:
Base-Base interactions energy: -1948.892
where: short stacking energy: -809.241
Base-Backbone interact. energy: -3.431
local terms energy: -797.904871
where:
bonds (distance) C4'-P energy: -138.249
bonds (distance) P-C4' energy: -148.235
flat angles C4'-P-C4' energy: -166.392
flat angles P-C4'-P energy: -117.195
tors. eta vs tors. theta energy: -227.833
Dist. restrs. and SS energy: 5.461 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -2692.992822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2692.992822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2697.143192 (E_RNA)
where:
Base-Base interactions energy: -1892.029
where: short stacking energy: -816.042
Base-Backbone interact. energy: -4.089
local terms energy: -801.024960
where:
bonds (distance) C4'-P energy: -129.810
bonds (distance) P-C4' energy: -141.171
flat angles C4'-P-C4' energy: -164.565
flat angles P-C4'-P energy: -116.182
tors. eta vs tors. theta energy: -249.296
Dist. restrs. and SS energy: 4.150 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -2639.689156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2639.689156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2644.257094 (E_RNA)
where:
Base-Base interactions energy: -1869.005
where: short stacking energy: -785.515
Base-Backbone interact. energy: -1.843
local terms energy: -773.408957
where:
bonds (distance) C4'-P energy: -133.186
bonds (distance) P-C4' energy: -120.666
flat angles C4'-P-C4' energy: -165.713
flat angles P-C4'-P energy: -119.641
tors. eta vs tors. theta energy: -234.204
Dist. restrs. and SS energy: 4.568 (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: 1
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -2565.521217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2565.521217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2569.931923 (E_RNA)
where:
Base-Base interactions energy: -1807.502
where: short stacking energy: -769.730
Base-Backbone interact. energy: -3.165
local terms energy: -759.265487
where:
bonds (distance) C4'-P energy: -132.712
bonds (distance) P-C4' energy: -125.293
flat angles C4'-P-C4' energy: -161.891
flat angles P-C4'-P energy: -103.810
tors. eta vs tors. theta energy: -235.559
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: 3
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -2466.262148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2466.262148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2474.478819 (E_RNA)
where:
Base-Base interactions energy: -1741.302
where: short stacking energy: -728.045
Base-Backbone interact. energy: -2.359
local terms energy: -730.817757
where:
bonds (distance) C4'-P energy: -119.142
bonds (distance) P-C4' energy: -127.425
flat angles C4'-P-C4' energy: -163.098
flat angles P-C4'-P energy: -108.815
tors. eta vs tors. theta energy: -212.338
Dist. restrs. and SS energy: 8.217 (S_DIST_RNA)
chem. 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: -2342.911295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2342.911295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2347.126881 (E_RNA)
where:
Base-Base interactions energy: -1627.709
where: short stacking energy: -703.164
Base-Backbone interact. energy: -0.339
local terms energy: -719.079472
where:
bonds (distance) C4'-P energy: -119.086
bonds (distance) P-C4' energy: -137.970
flat angles C4'-P-C4' energy: -145.602
flat angles P-C4'-P energy: -95.237
tors. eta vs tors. theta energy: -221.185
Dist. restrs. and SS energy: 4.216 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -2298.583270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2298.583270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2307.994994 (E_RNA)
where:
Base-Base interactions energy: -1605.612
where: short stacking energy: -696.657
Base-Backbone interact. energy: 2.777
local terms energy: -705.159685
where:
bonds (distance) C4'-P energy: -105.451
bonds (distance) P-C4' energy: -123.067
flat angles C4'-P-C4' energy: -155.632
flat angles P-C4'-P energy: -107.590
tors. eta vs tors. theta energy: -213.420
Dist. restrs. and SS energy: 9.412 (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: 10
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -2195.834155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2195.834155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2202.791216 (E_RNA)
where:
Base-Base interactions energy: -1551.692
where: short stacking energy: -636.095
Base-Backbone interact. energy: -1.695
local terms energy: -649.403529
where:
bonds (distance) C4'-P energy: -108.684
bonds (distance) P-C4' energy: -130.619
flat angles C4'-P-C4' energy: -123.844
flat angles P-C4'-P energy: -89.581
tors. eta vs tors. theta energy: -196.675
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: 9, replica: 4
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -2101.032576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2101.032576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2116.311743 (E_RNA)
where:
Base-Base interactions energy: -1454.710
where: short stacking energy: -601.516
Base-Backbone interact. energy: 1.695
local terms energy: -663.296216
where:
bonds (distance) C4'-P energy: -124.979
bonds (distance) P-C4' energy: -113.898
flat angles C4'-P-C4' energy: -127.698
flat angles P-C4'-P energy: -107.733
tors. eta vs tors. theta energy: -188.988
Dist. restrs. and SS energy: 15.279 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -2017.359698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2017.359698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2039.294351 (E_RNA)
where:
Base-Base interactions energy: -1426.802
where: short stacking energy: -610.750
Base-Backbone interact. energy: -1.014
local terms energy: -611.478713
where:
bonds (distance) C4'-P energy: -117.635
bonds (distance) P-C4' energy: -112.703
flat angles C4'-P-C4' energy: -121.210
flat angles P-C4'-P energy: -86.701
tors. eta vs tors. theta energy: -173.230
Dist. restrs. and SS energy: 21.935 (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: 5
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -2753.385478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2753.385478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2757.424433 (E_RNA)
where:
Base-Base interactions energy: -1915.055
where: short stacking energy: -789.618
Base-Backbone interact. energy: -5.931
local terms energy: -836.438575
where:
bonds (distance) C4'-P energy: -147.443
bonds (distance) P-C4' energy: -155.601
flat angles C4'-P-C4' energy: -176.859
flat angles P-C4'-P energy: -124.084
tors. eta vs tors. theta energy: -232.451
Dist. restrs. and SS energy: 4.039 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -2724.014201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2724.014201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2727.534951 (E_RNA)
where:
Base-Base interactions energy: -1930.306
where: short stacking energy: -830.830
Base-Backbone interact. energy: -1.687
local terms energy: -795.542207
where:
bonds (distance) C4'-P energy: -133.508
bonds (distance) P-C4' energy: -136.112
flat angles C4'-P-C4' energy: -163.501
flat angles P-C4'-P energy: -122.117
tors. eta vs tors. theta energy: -240.305
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: 8
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -2645.232855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2645.232855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2648.758536 (E_RNA)
where:
Base-Base interactions energy: -1847.372
where: short stacking energy: -772.654
Base-Backbone interact. energy: 3.752
local terms energy: -805.138907
where:
bonds (distance) C4'-P energy: -139.754
bonds (distance) P-C4' energy: -150.245
flat angles C4'-P-C4' energy: -168.321
flat angles P-C4'-P energy: -107.561
tors. eta vs tors. theta energy: -239.257
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: 4, replica: 1
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -2544.726715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2544.726715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2547.260212 (E_RNA)
where:
Base-Base interactions energy: -1807.708
where: short stacking energy: -759.242
Base-Backbone interact. energy: -1.595
local terms energy: -737.956301
where:
bonds (distance) C4'-P energy: -117.854
bonds (distance) P-C4' energy: -140.362
flat angles C4'-P-C4' energy: -158.804
flat angles P-C4'-P energy: -110.109
tors. eta vs tors. theta energy: -210.828
Dist. restrs. and SS energy: 2.533 (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: 3
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -2470.081375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2470.081375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2480.131305 (E_RNA)
where:
Base-Base interactions energy: -1749.450
where: short stacking energy: -762.556
Base-Backbone interact. energy: -0.019
local terms energy: -730.661711
where:
bonds (distance) C4'-P energy: -117.466
bonds (distance) P-C4' energy: -129.705
flat angles C4'-P-C4' energy: -159.726
flat angles P-C4'-P energy: -95.556
tors. eta vs tors. theta energy: -228.210
Dist. restrs. and SS energy: 10.050 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -2342.200503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2342.200503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2353.633792 (E_RNA)
where:
Base-Base interactions energy: -1667.052
where: short stacking energy: -680.547
Base-Backbone interact. energy: -1.180
local terms energy: -685.401279
where:
bonds (distance) C4'-P energy: -128.200
bonds (distance) P-C4' energy: -100.270
flat angles C4'-P-C4' energy: -161.820
flat angles P-C4'-P energy: -96.032
tors. eta vs tors. theta energy: -199.080
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: 7, replica: 9
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -2342.250812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2342.250812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2349.721482 (E_RNA)
where:
Base-Base interactions energy: -1637.086
where: short stacking energy: -692.119
Base-Backbone interact. energy: -1.932
local terms energy: -710.703437
where:
bonds (distance) C4'-P energy: -120.119
bonds (distance) P-C4' energy: -136.631
flat angles C4'-P-C4' energy: -146.025
flat angles P-C4'-P energy: -101.158
tors. eta vs tors. theta energy: -206.770
Dist. restrs. and SS energy: 7.471 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -2185.453095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2185.453095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2195.565798 (E_RNA)
where:
Base-Base interactions energy: -1556.175
where: short stacking energy: -655.017
Base-Backbone interact. energy: 0.400
local terms energy: -639.790836
where:
bonds (distance) C4'-P energy: -121.930
bonds (distance) P-C4' energy: -112.182
flat angles C4'-P-C4' energy: -135.845
flat angles P-C4'-P energy: -79.947
tors. eta vs tors. theta energy: -189.887
Dist. restrs. and SS energy: 10.113 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -2056.205505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2056.205505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2081.075861 (E_RNA)
where:
Base-Base interactions energy: -1460.521
where: short stacking energy: -603.037
Base-Backbone interact. energy: -4.274
local terms energy: -616.281226
where:
bonds (distance) C4'-P energy: -123.013
bonds (distance) P-C4' energy: -116.065
flat angles C4'-P-C4' energy: -125.426
flat angles P-C4'-P energy: -86.416
tors. eta vs tors. theta energy: -165.362
Dist. restrs. and SS energy: 24.870 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -2070.990986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2070.990986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2082.855074 (E_RNA)
where:
Base-Base interactions energy: -1433.350
where: short stacking energy: -585.567
Base-Backbone interact. energy: 1.945
local terms energy: -651.449664
where:
bonds (distance) C4'-P energy: -118.620
bonds (distance) P-C4' energy: -130.903
flat angles C4'-P-C4' energy: -149.145
flat angles P-C4'-P energy: -95.778
tors. eta vs tors. theta energy: -157.004
Dist. restrs. and SS energy: 11.864 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -2735.515202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2735.515202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2741.583328 (E_RNA)
where:
Base-Base interactions energy: -1935.203
where: short stacking energy: -790.862
Base-Backbone interact. energy: -1.046
local terms energy: -805.334397
where:
bonds (distance) C4'-P energy: -145.927
bonds (distance) P-C4' energy: -150.937
flat angles C4'-P-C4' energy: -166.379
flat angles P-C4'-P energy: -109.739
tors. eta vs tors. theta energy: -232.352
Dist. restrs. and SS energy: 6.068 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -2787.027005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2787.027005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2790.434495 (E_RNA)
where:
Base-Base interactions energy: -1985.308
where: short stacking energy: -828.381
Base-Backbone interact. energy: -3.254
local terms energy: -801.872536
where:
bonds (distance) C4'-P energy: -135.312
bonds (distance) P-C4' energy: -131.423
flat angles C4'-P-C4' energy: -169.056
flat angles P-C4'-P energy: -122.478
tors. eta vs tors. theta energy: -243.603
Dist. restrs. and SS energy: 3.407 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -2644.920148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2644.920148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2649.466665 (E_RNA)
where:
Base-Base interactions energy: -1843.940
where: short stacking energy: -763.919
Base-Backbone interact. energy: -6.070
local terms energy: -799.456823
where:
bonds (distance) C4'-P energy: -144.366
bonds (distance) P-C4' energy: -151.812
flat angles C4'-P-C4' energy: -161.345
flat angles P-C4'-P energy: -106.635
tors. eta vs tors. theta energy: -235.298
Dist. restrs. and SS energy: 4.547 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -2546.934697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2546.934697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2551.404562 (E_RNA)
where:
Base-Base interactions energy: -1799.270
where: short stacking energy: -759.269
Base-Backbone interact. energy: -3.510
local terms energy: -748.624264
where:
bonds (distance) C4'-P energy: -134.782
bonds (distance) P-C4' energy: -118.737
flat angles C4'-P-C4' energy: -157.589
flat angles P-C4'-P energy: -97.690
tors. eta vs tors. theta energy: -239.827
Dist. restrs. and SS energy: 4.470 (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: 3
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -2472.123965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2472.123965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2479.873336 (E_RNA)
where:
Base-Base interactions energy: -1767.900
where: short stacking energy: -738.140
Base-Backbone interact. energy: 0.093
local terms energy: -712.066235
where:
bonds (distance) C4'-P energy: -113.646
bonds (distance) P-C4' energy: -135.615
flat angles C4'-P-C4' energy: -151.752
flat angles P-C4'-P energy: -93.675
tors. eta vs tors. theta energy: -217.378
Dist. restrs. and SS energy: 7.749 (S_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: 472
Temperature: 1.150000
Total energy: -2384.394556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2384.394556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2390.900631 (E_RNA)
where:
Base-Base interactions energy: -1686.448
where: short stacking energy: -699.904
Base-Backbone interact. energy: 2.878
local terms energy: -707.329957
where:
bonds (distance) C4'-P energy: -131.358
bonds (distance) P-C4' energy: -130.620
flat angles C4'-P-C4' energy: -146.998
flat angles P-C4'-P energy: -102.807
tors. eta vs tors. theta energy: -195.546
Dist. restrs. and SS energy: 6.506 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -2302.407531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2302.407531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2307.982147 (E_RNA)
where:
Base-Base interactions energy: -1632.931
where: short stacking energy: -678.742
Base-Backbone interact. energy: 2.387
local terms energy: -677.438928
where:
bonds (distance) C4'-P energy: -128.965
bonds (distance) P-C4' energy: -121.964
flat angles C4'-P-C4' energy: -135.181
flat angles P-C4'-P energy: -90.692
tors. eta vs tors. theta energy: -200.636
Dist. restrs. and SS energy: 5.575 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -2220.187676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2220.187676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2228.555078 (E_RNA)
where:
Base-Base interactions energy: -1576.672
where: short stacking energy: -652.227
Base-Backbone interact. energy: 1.675
local terms energy: -653.558820
where:
bonds (distance) C4'-P energy: -122.025
bonds (distance) P-C4' energy: -120.325
flat angles C4'-P-C4' energy: -145.884
flat angles P-C4'-P energy: -69.943
tors. eta vs tors. theta energy: -195.382
Dist. restrs. and SS energy: 8.367 (S_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: 472
Temperature: 1.300000
Total energy: -2151.055383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2151.055383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2170.653075 (E_RNA)
where:
Base-Base interactions energy: -1528.845
where: short stacking energy: -659.993
Base-Backbone interact. energy: -4.272
local terms energy: -637.535614
where:
bonds (distance) C4'-P energy: -107.795
bonds (distance) P-C4' energy: -107.677
flat angles C4'-P-C4' energy: -138.160
flat angles P-C4'-P energy: -100.999
tors. eta vs tors. theta energy: -182.904
Dist. restrs. and SS energy: 19.598 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -2046.798334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2046.798334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2063.631029 (E_RNA)
where:
Base-Base interactions energy: -1431.544
where: short stacking energy: -608.387
Base-Backbone interact. energy: -1.313
local terms energy: -630.773540
where:
bonds (distance) C4'-P energy: -120.284
bonds (distance) P-C4' energy: -127.293
flat angles C4'-P-C4' energy: -117.801
flat angles P-C4'-P energy: -89.934
tors. eta vs tors. theta energy: -175.461
Dist. restrs. and SS energy: 16.833 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -2751.955204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2751.955204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2760.664088 (E_RNA)
where:
Base-Base interactions energy: -1957.576
where: short stacking energy: -809.895
Base-Backbone interact. energy: -3.237
local terms energy: -799.850620
where:
bonds (distance) C4'-P energy: -137.821
bonds (distance) P-C4' energy: -129.324
flat angles C4'-P-C4' energy: -180.536
flat angles P-C4'-P energy: -120.696
tors. eta vs tors. theta energy: -231.473
Dist. restrs. and SS energy: 8.709 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -2712.550498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2712.550498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2717.317463 (E_RNA)
where:
Base-Base interactions energy: -1913.318
where: short stacking energy: -803.967
Base-Backbone interact. energy: -1.355
local terms energy: -802.644421
where:
bonds (distance) C4'-P energy: -141.203
bonds (distance) P-C4' energy: -133.722
flat angles C4'-P-C4' energy: -173.149
flat angles P-C4'-P energy: -117.276
tors. eta vs tors. theta energy: -237.295
Dist. restrs. and SS energy: 4.767 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -2604.136767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2604.136767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2608.814485 (E_RNA)
where:
Base-Base interactions energy: -1834.633
where: short stacking energy: -777.026
Base-Backbone interact. energy: -1.744
local terms energy: -772.437691
where:
bonds (distance) C4'-P energy: -136.832
bonds (distance) P-C4' energy: -134.872
flat angles C4'-P-C4' energy: -160.858
flat angles P-C4'-P energy: -104.847
tors. eta vs tors. theta energy: -235.029
Dist. restrs. and SS energy: 4.678 (S_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: 473
Temperature: 1.050000
Total energy: -2560.684304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2560.684304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2565.549644 (E_RNA)
where:
Base-Base interactions energy: -1790.218
where: short stacking energy: -767.218
Base-Backbone interact. energy: -5.199
local terms energy: -770.133066
where:
bonds (distance) C4'-P energy: -130.354
bonds (distance) P-C4' energy: -146.524
flat angles C4'-P-C4' energy: -155.653
flat angles P-C4'-P energy: -104.509
tors. eta vs tors. theta energy: -233.094
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: 3
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -2486.482316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2486.482316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2493.001217 (E_RNA)
where:
Base-Base interactions energy: -1782.718
where: short stacking energy: -737.709
Base-Backbone interact. energy: -0.983
local terms energy: -709.300435
where:
bonds (distance) C4'-P energy: -122.472
bonds (distance) P-C4' energy: -125.924
flat angles C4'-P-C4' energy: -143.398
flat angles P-C4'-P energy: -99.706
tors. eta vs tors. theta energy: -217.800
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: 6, replica: 9
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -2339.849443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2339.849443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2348.049438 (E_RNA)
where:
Base-Base interactions energy: -1636.657
where: short stacking energy: -699.107
Base-Backbone interact. energy: -3.903
local terms energy: -707.488986
where:
bonds (distance) C4'-P energy: -123.879
bonds (distance) P-C4' energy: -130.384
flat angles C4'-P-C4' energy: -160.844
flat angles P-C4'-P energy: -84.408
tors. eta vs tors. theta energy: -207.974
Dist. restrs. and SS energy: 8.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -2278.397063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2278.397063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2287.721606 (E_RNA)
where:
Base-Base interactions energy: -1607.038
where: short stacking energy: -672.053
Base-Backbone interact. energy: -0.416
local terms energy: -680.267700
where:
bonds (distance) C4'-P energy: -121.155
bonds (distance) P-C4' energy: -118.558
flat angles C4'-P-C4' energy: -156.201
flat angles P-C4'-P energy: -85.272
tors. eta vs tors. theta energy: -199.082
Dist. restrs. and SS energy: 9.325 (S_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: 473
Temperature: 1.250000
Total energy: -2231.566272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2231.566272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2239.535216 (E_RNA)
where:
Base-Base interactions energy: -1572.233
where: short stacking energy: -641.607
Base-Backbone interact. energy: 0.114
local terms energy: -667.416342
where:
bonds (distance) C4'-P energy: -118.182
bonds (distance) P-C4' energy: -106.314
flat angles C4'-P-C4' energy: -134.376
flat angles P-C4'-P energy: -103.229
tors. eta vs tors. theta energy: -205.315
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: 9, replica: 4
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -2108.648098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2108.648098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2132.208346 (E_RNA)
where:
Base-Base interactions energy: -1489.505
where: short stacking energy: -611.961
Base-Backbone interact. energy: 0.610
local terms energy: -643.313613
where:
bonds (distance) C4'-P energy: -115.552
bonds (distance) P-C4' energy: -122.139
flat angles C4'-P-C4' energy: -137.703
flat angles P-C4'-P energy: -82.277
tors. eta vs tors. theta energy: -185.643
Dist. restrs. and SS energy: 23.560 (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: 6
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -1989.936464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1989.936464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2004.613399 (E_RNA)
where:
Base-Base interactions energy: -1395.735
where: short stacking energy: -580.046
Base-Backbone interact. energy: -2.236
local terms energy: -606.641916
where:
bonds (distance) C4'-P energy: -112.651
bonds (distance) P-C4' energy: -118.145
flat angles C4'-P-C4' energy: -134.622
flat angles P-C4'-P energy: -80.035
tors. eta vs tors. theta energy: -161.188
Dist. restrs. and SS energy: 14.677 (S_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: 474
Temperature: 0.900000
Total energy: -2790.431051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2790.431051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2794.277363 (E_RNA)
where:
Base-Base interactions energy: -1966.738
where: short stacking energy: -812.577
Base-Backbone interact. energy: 0.618
local terms energy: -828.157471
where:
bonds (distance) C4'-P energy: -147.094
bonds (distance) P-C4' energy: -150.322
flat angles C4'-P-C4' energy: -172.180
flat angles P-C4'-P energy: -119.149
tors. eta vs tors. theta energy: -239.412
Dist. restrs. and SS energy: 3.846 (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: 5
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -2683.659820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2683.659820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2692.377182 (E_RNA)
where:
Base-Base interactions energy: -1880.722
where: short stacking energy: -790.353
Base-Backbone interact. energy: -4.414
local terms energy: -807.240771
where:
bonds (distance) C4'-P energy: -139.491
bonds (distance) P-C4' energy: -146.463
flat angles C4'-P-C4' energy: -171.851
flat angles P-C4'-P energy: -114.625
tors. eta vs tors. theta energy: -234.811
Dist. restrs. and SS energy: 8.717 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -2631.091062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2631.091062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2636.475050 (E_RNA)
where:
Base-Base interactions energy: -1865.469
where: short stacking energy: -799.606
Base-Backbone interact. energy: 0.023
local terms energy: -771.029559
where:
bonds (distance) C4'-P energy: -117.260
bonds (distance) P-C4' energy: -135.832
flat angles C4'-P-C4' energy: -174.759
flat angles P-C4'-P energy: -111.364
tors. eta vs tors. theta energy: -231.816
Dist. restrs. and SS energy: 5.384 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -2570.326052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2570.326052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2574.956792 (E_RNA)
where:
Base-Base interactions energy: -1803.081
where: short stacking energy: -757.618
Base-Backbone interact. energy: -5.892
local terms energy: -765.983332
where:
bonds (distance) C4'-P energy: -129.019
bonds (distance) P-C4' energy: -138.381
flat angles C4'-P-C4' energy: -155.501
flat angles P-C4'-P energy: -103.952
tors. eta vs tors. theta energy: -239.131
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: 3
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -2475.187711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2475.187711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2481.071568 (E_RNA)
where:
Base-Base interactions energy: -1739.229
where: short stacking energy: -732.849
Base-Backbone interact. energy: -2.976
local terms energy: -738.866400
where:
bonds (distance) C4'-P energy: -122.845
bonds (distance) P-C4' energy: -128.713
flat angles C4'-P-C4' energy: -161.045
flat angles P-C4'-P energy: -98.450
tors. eta vs tors. theta energy: -227.814
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: 6, replica: 9
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -2383.110486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2383.110486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2395.697037 (E_RNA)
where:
Base-Base interactions energy: -1684.285
where: short stacking energy: -690.372
Base-Backbone interact. energy: 9.802
local terms energy: -721.213997
where:
bonds (distance) C4'-P energy: -125.905
bonds (distance) P-C4' energy: -137.737
flat angles C4'-P-C4' energy: -150.692
flat angles P-C4'-P energy: -100.293
tors. eta vs tors. theta energy: -206.587
Dist. restrs. and SS energy: 12.587 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -2271.571665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2271.571665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2278.322367 (E_RNA)
where:
Base-Base interactions energy: -1586.116
where: short stacking energy: -652.282
Base-Backbone interact. energy: -2.366
local terms energy: -689.840700
where:
bonds (distance) C4'-P energy: -123.571
bonds (distance) P-C4' energy: -147.652
flat angles C4'-P-C4' energy: -142.359
flat angles P-C4'-P energy: -84.691
tors. eta vs tors. theta energy: -191.567
Dist. restrs. and SS energy: 6.751 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -2245.988109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2245.988109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2256.553226 (E_RNA)
where:
Base-Base interactions energy: -1609.780
where: short stacking energy: -675.331
Base-Backbone interact. energy: -0.744
local terms energy: -646.028947
where:
bonds (distance) C4'-P energy: -97.990
bonds (distance) P-C4' energy: -117.351
flat angles C4'-P-C4' energy: -144.557
flat angles P-C4'-P energy: -91.999
tors. eta vs tors. theta energy: -194.132
Dist. restrs. and SS energy: 10.565 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -2069.808735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2069.808735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2083.791737 (E_RNA)
where:
Base-Base interactions energy: -1489.357
where: short stacking energy: -594.525
Base-Backbone interact. energy: -0.643
local terms energy: -593.791716
where:
bonds (distance) C4'-P energy: -89.992
bonds (distance) P-C4' energy: -115.135
flat angles C4'-P-C4' energy: -136.509
flat angles P-C4'-P energy: -77.053
tors. eta vs tors. theta energy: -175.103
Dist. restrs. and SS energy: 13.983 (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: 474
Temperature: 1.350000
Total energy: -2025.634124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2025.634124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2044.975075 (E_RNA)
where:
Base-Base interactions energy: -1462.286
where: short stacking energy: -613.270
Base-Backbone interact. energy: 1.520
local terms energy: -584.209460
where:
bonds (distance) C4'-P energy: -109.613
bonds (distance) P-C4' energy: -115.777
flat angles C4'-P-C4' energy: -126.209
flat angles P-C4'-P energy: -61.143
tors. eta vs tors. theta energy: -171.468
Dist. restrs. and SS energy: 19.341 (S_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: 475
Temperature: 0.900000
Total energy: -2804.319030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2804.319030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2808.105700 (E_RNA)
where:
Base-Base interactions energy: -1960.197
where: short stacking energy: -826.070
Base-Backbone interact. energy: -1.476
local terms energy: -846.432325
where:
bonds (distance) C4'-P energy: -156.354
bonds (distance) P-C4' energy: -149.307
flat angles C4'-P-C4' energy: -179.387
flat angles P-C4'-P energy: -122.059
tors. eta vs tors. theta energy: -239.326
Dist. restrs. and SS energy: 3.787 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -2662.403849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2662.403849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2668.868745 (E_RNA)
where:
Base-Base interactions energy: -1876.089
where: short stacking energy: -781.797
Base-Backbone interact. energy: 3.145
local terms energy: -795.924855
where:
bonds (distance) C4'-P energy: -131.109
bonds (distance) P-C4' energy: -150.385
flat angles C4'-P-C4' energy: -162.664
flat angles P-C4'-P energy: -115.009
tors. eta vs tors. theta energy: -236.758
Dist. restrs. and SS energy: 6.465 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -2641.076004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2641.076004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2645.360271 (E_RNA)
where:
Base-Base interactions energy: -1848.181
where: short stacking energy: -761.015
Base-Backbone interact. energy: -2.767
local terms energy: -794.412573
where:
bonds (distance) C4'-P energy: -131.556
bonds (distance) P-C4' energy: -141.573
flat angles C4'-P-C4' energy: -180.993
flat angles P-C4'-P energy: -104.595
tors. eta vs tors. theta energy: -235.697
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: 4, replica: 1
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -2575.139759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2575.139759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2579.281919 (E_RNA)
where:
Base-Base interactions energy: -1808.048
where: short stacking energy: -789.284
Base-Backbone interact. energy: -3.677
local terms energy: -767.557001
where:
bonds (distance) C4'-P energy: -136.018
bonds (distance) P-C4' energy: -136.356
flat angles C4'-P-C4' energy: -159.270
flat angles P-C4'-P energy: -101.074
tors. eta vs tors. theta energy: -234.838
Dist. restrs. and SS energy: 4.142 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -2474.399073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2474.399073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2482.243073 (E_RNA)
where:
Base-Base interactions energy: -1756.875
where: short stacking energy: -744.577
Base-Backbone interact. energy: 2.203
local terms energy: -727.570443
where:
bonds (distance) C4'-P energy: -128.733
bonds (distance) P-C4' energy: -115.003
flat angles C4'-P-C4' energy: -156.059
flat angles P-C4'-P energy: -105.520
tors. eta vs tors. theta energy: -222.256
Dist. restrs. and SS energy: 7.844 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -2367.581764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2367.581764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2381.287691 (E_RNA)
where:
Base-Base interactions energy: -1663.616
where: short stacking energy: -697.529
Base-Backbone interact. energy: -2.304
local terms energy: -715.368059
where:
bonds (distance) C4'-P energy: -121.116
bonds (distance) P-C4' energy: -125.645
flat angles C4'-P-C4' energy: -153.762
flat angles P-C4'-P energy: -112.886
tors. eta vs tors. theta energy: -201.960
Dist. restrs. and SS energy: 13.706 (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: 10
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -2336.952690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2336.952690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2345.998180 (E_RNA)
where:
Base-Base interactions energy: -1652.405
where: short stacking energy: -720.654
Base-Backbone interact. energy: -3.068
local terms energy: -690.525070
where:
bonds (distance) C4'-P energy: -126.449
bonds (distance) P-C4' energy: -119.637
flat angles C4'-P-C4' energy: -135.643
flat angles P-C4'-P energy: -89.097
tors. eta vs tors. theta energy: -219.698
Dist. restrs. and SS energy: 9.045 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -2192.805843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2192.805843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2205.629566 (E_RNA)
where:
Base-Base interactions energy: -1553.099
where: short stacking energy: -658.208
Base-Backbone interact. energy: -2.194
local terms energy: -650.336501
where:
bonds (distance) C4'-P energy: -109.834
bonds (distance) P-C4' energy: -107.503
flat angles C4'-P-C4' energy: -158.497
flat angles P-C4'-P energy: -82.826
tors. eta vs tors. theta energy: -191.677
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: 4
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -2118.596385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2118.596385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2134.951483 (E_RNA)
where:
Base-Base interactions energy: -1476.396
where: short stacking energy: -600.667
Base-Backbone interact. energy: 4.639
local terms energy: -663.194844
where:
bonds (distance) C4'-P energy: -121.505
bonds (distance) P-C4' energy: -118.942
flat angles C4'-P-C4' energy: -144.166
flat angles P-C4'-P energy: -101.407
tors. eta vs tors. theta energy: -177.174
Dist. restrs. and SS energy: 16.355 (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: 475
Temperature: 1.350000
Total energy: -2041.587531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2041.587531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2061.845139 (E_RNA)
where:
Base-Base interactions energy: -1445.434
where: short stacking energy: -614.045
Base-Backbone interact. energy: 0.270
local terms energy: -616.681092
where:
bonds (distance) C4'-P energy: -112.592
bonds (distance) P-C4' energy: -100.798
flat angles C4'-P-C4' energy: -145.493
flat angles P-C4'-P energy: -88.184
tors. eta vs tors. theta energy: -169.614
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: 1, replica: 2
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -2794.517052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2794.517052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2798.453563 (E_RNA)
where:
Base-Base interactions energy: -1952.029
where: short stacking energy: -830.096
Base-Backbone interact. energy: -2.703
local terms energy: -843.721947
where:
bonds (distance) C4'-P energy: -139.411
bonds (distance) P-C4' energy: -152.689
flat angles C4'-P-C4' energy: -185.677
flat angles P-C4'-P energy: -114.442
tors. eta vs tors. theta energy: -251.503
Dist. restrs. and SS energy: 3.937 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -2687.426403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2687.426403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2693.654097 (E_RNA)
where:
Base-Base interactions energy: -1907.437
where: short stacking energy: -789.978
Base-Backbone interact. energy: 2.352
local terms energy: -788.568694
where:
bonds (distance) C4'-P energy: -138.872
bonds (distance) P-C4' energy: -146.805
flat angles C4'-P-C4' energy: -165.448
flat angles P-C4'-P energy: -108.561
tors. eta vs tors. theta energy: -228.883
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: 3, replica: 8
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -2586.726191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2586.726191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2593.764448 (E_RNA)
where:
Base-Base interactions energy: -1815.460
where: short stacking energy: -762.020
Base-Backbone interact. energy: -4.068
local terms energy: -774.236470
where:
bonds (distance) C4'-P energy: -136.237
bonds (distance) P-C4' energy: -151.589
flat angles C4'-P-C4' energy: -154.429
flat angles P-C4'-P energy: -103.224
tors. eta vs tors. theta energy: -228.758
Dist. restrs. and SS energy: 7.038 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -2540.970282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2540.970282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2544.851718 (E_RNA)
where:
Base-Base interactions energy: -1777.061
where: short stacking energy: -751.520
Base-Backbone interact. energy: -1.097
local terms energy: -766.693836
where:
bonds (distance) C4'-P energy: -139.719
bonds (distance) P-C4' energy: -124.250
flat angles C4'-P-C4' energy: -168.849
flat angles P-C4'-P energy: -118.094
tors. eta vs tors. theta energy: -215.781
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: 5, replica: 3
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -2430.888984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2430.888984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2436.872121 (E_RNA)
where:
Base-Base interactions energy: -1694.886
where: short stacking energy: -721.483
Base-Backbone interact. energy: -0.394
local terms energy: -741.592145
where:
bonds (distance) C4'-P energy: -133.807
bonds (distance) P-C4' energy: -117.017
flat angles C4'-P-C4' energy: -155.116
flat angles P-C4'-P energy: -108.431
tors. eta vs tors. theta energy: -227.221
Dist. restrs. and SS energy: 5.983 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -2367.569841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2367.569841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2374.725570 (E_RNA)
where:
Base-Base interactions energy: -1659.912
where: short stacking energy: -684.013
Base-Backbone interact. energy: 3.095
local terms energy: -717.907999
where:
bonds (distance) C4'-P energy: -132.309
bonds (distance) P-C4' energy: -134.728
flat angles C4'-P-C4' energy: -155.434
flat angles P-C4'-P energy: -93.735
tors. eta vs tors. theta energy: -201.702
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: 7, replica: 10
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -2298.019904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2298.019904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2309.785288 (E_RNA)
where:
Base-Base interactions energy: -1617.501
where: short stacking energy: -674.724
Base-Backbone interact. energy: -4.030
local terms energy: -688.254214
where:
bonds (distance) C4'-P energy: -140.190
bonds (distance) P-C4' energy: -114.822
flat angles C4'-P-C4' energy: -138.839
flat angles P-C4'-P energy: -86.395
tors. eta vs tors. theta energy: -208.007
Dist. restrs. and SS energy: 11.765 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -2181.799572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2181.799572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2200.887164 (E_RNA)
where:
Base-Base interactions energy: -1514.337
where: short stacking energy: -626.780
Base-Backbone interact. energy: -1.575
local terms energy: -684.974561
where:
bonds (distance) C4'-P energy: -126.337
bonds (distance) P-C4' energy: -128.813
flat angles C4'-P-C4' energy: -140.055
flat angles P-C4'-P energy: -100.791
tors. eta vs tors. theta energy: -188.978
Dist. restrs. and SS energy: 19.088 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -2076.841875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2076.841875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.230661 (E_RNA)
where:
Base-Base interactions energy: -1502.471
where: short stacking energy: -617.843
Base-Backbone interact. energy: -3.307
local terms energy: -589.452585
where:
bonds (distance) C4'-P energy: -88.572
bonds (distance) P-C4' energy: -106.015
flat angles C4'-P-C4' energy: -133.139
flat angles P-C4'-P energy: -80.645
tors. eta vs tors. theta energy: -181.081
Dist. restrs. and SS energy: 18.389 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -2019.116927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2019.116927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2037.921111 (E_RNA)
where:
Base-Base interactions energy: -1421.740
where: short stacking energy: -576.985
Base-Backbone interact. energy: -3.451
local terms energy: -612.730019
where:
bonds (distance) C4'-P energy: -106.671
bonds (distance) P-C4' energy: -119.175
flat angles C4'-P-C4' energy: -142.885
flat angles P-C4'-P energy: -81.867
tors. eta vs tors. theta energy: -162.132
Dist. restrs. and SS energy: 18.804 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -2807.012036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2807.012036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2809.574708 (E_RNA)
where:
Base-Base interactions energy: -1969.608
where: short stacking energy: -811.803
Base-Backbone interact. energy: -4.744
local terms energy: -835.223337
where:
bonds (distance) C4'-P energy: -148.669
bonds (distance) P-C4' energy: -150.580
flat angles C4'-P-C4' energy: -178.335
flat angles P-C4'-P energy: -114.903
tors. eta vs tors. theta energy: -242.737
Dist. restrs. and SS energy: 2.563 (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: 5
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -2671.919536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2671.919536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2677.756413 (E_RNA)
where:
Base-Base interactions energy: -1843.898
where: short stacking energy: -787.327
Base-Backbone interact. energy: -0.516
local terms energy: -833.342028
where:
bonds (distance) C4'-P energy: -135.652
bonds (distance) P-C4' energy: -147.287
flat angles C4'-P-C4' energy: -180.333
flat angles P-C4'-P energy: -134.985
tors. eta vs tors. theta energy: -235.084
Dist. restrs. and SS energy: 5.837 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -2606.074569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2606.074569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2611.616200 (E_RNA)
where:
Base-Base interactions energy: -1814.552
where: short stacking energy: -773.791
Base-Backbone interact. energy: 1.153
local terms energy: -798.217606
where:
bonds (distance) C4'-P energy: -151.018
bonds (distance) P-C4' energy: -147.696
flat angles C4'-P-C4' energy: -163.509
flat angles P-C4'-P energy: -114.053
tors. eta vs tors. theta energy: -221.943
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: 4, replica: 1
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -2569.810044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2569.810044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2574.020752 (E_RNA)
where:
Base-Base interactions energy: -1799.831
where: short stacking energy: -745.747
Base-Backbone interact. energy: -3.866
local terms energy: -770.323531
where:
bonds (distance) C4'-P energy: -138.108
bonds (distance) P-C4' energy: -136.297
flat angles C4'-P-C4' energy: -154.626
flat angles P-C4'-P energy: -102.535
tors. eta vs tors. theta energy: -238.757
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: 5, replica: 3
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -2450.480466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2450.480466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2457.781665 (E_RNA)
where:
Base-Base interactions energy: -1714.592
where: short stacking energy: -743.323
Base-Backbone interact. energy: -3.961
local terms energy: -739.229478
where:
bonds (distance) C4'-P energy: -118.625
bonds (distance) P-C4' energy: -124.312
flat angles C4'-P-C4' energy: -164.166
flat angles P-C4'-P energy: -111.553
tors. eta vs tors. theta energy: -220.574
Dist. restrs. and SS energy: 7.301 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -2385.094012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2385.094012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2395.144875 (E_RNA)
where:
Base-Base interactions energy: -1686.325
where: short stacking energy: -728.386
Base-Backbone interact. energy: -0.542
local terms energy: -708.278480
where:
bonds (distance) C4'-P energy: -114.391
bonds (distance) P-C4' energy: -127.748
flat angles C4'-P-C4' energy: -155.066
flat angles P-C4'-P energy: -104.265
tors. eta vs tors. theta energy: -206.809
Dist. restrs. and SS energy: 10.051 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -2288.505710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2288.505710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2294.604728 (E_RNA)
where:
Base-Base interactions energy: -1629.607
where: short stacking energy: -671.238
Base-Backbone interact. energy: 0.822
local terms energy: -665.819790
where:
bonds (distance) C4'-P energy: -134.710
bonds (distance) P-C4' energy: -103.013
flat angles C4'-P-C4' energy: -146.819
flat angles P-C4'-P energy: -83.209
tors. eta vs tors. theta energy: -198.069
Dist. restrs. and SS energy: 6.099 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -2141.151021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2141.151021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2155.936293 (E_RNA)
where:
Base-Base interactions energy: -1493.624
where: short stacking energy: -620.361
Base-Backbone interact. energy: 1.371
local terms energy: -663.683410
where:
bonds (distance) C4'-P energy: -118.601
bonds (distance) P-C4' energy: -131.081
flat angles C4'-P-C4' energy: -153.506
flat angles P-C4'-P energy: -85.739
tors. eta vs tors. theta energy: -174.756
Dist. restrs. and SS energy: 14.785 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -2086.892043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2086.892043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2105.764734 (E_RNA)
where:
Base-Base interactions energy: -1448.327
where: short stacking energy: -597.711
Base-Backbone interact. energy: 0.037
local terms energy: -657.475072
where:
bonds (distance) C4'-P energy: -112.090
bonds (distance) P-C4' energy: -120.996
flat angles C4'-P-C4' energy: -158.741
flat angles P-C4'-P energy: -93.154
tors. eta vs tors. theta energy: -172.496
Dist. restrs. and SS energy: 18.873 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -1930.446071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1930.446071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1953.091367 (E_RNA)
where:
Base-Base interactions energy: -1372.453
where: short stacking energy: -569.514
Base-Backbone interact. energy: -0.007
local terms energy: -580.631561
where:
bonds (distance) C4'-P energy: -115.474
bonds (distance) P-C4' energy: -101.222
flat angles C4'-P-C4' energy: -130.808
flat angles P-C4'-P energy: -70.708
tors. eta vs tors. theta energy: -162.419
Dist. restrs. and SS energy: 22.645 (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: 2
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -2789.000479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2789.000479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2792.823534 (E_RNA)
where:
Base-Base interactions energy: -1945.745
where: short stacking energy: -801.777
Base-Backbone interact. energy: -3.888
local terms energy: -843.191066
where:
bonds (distance) C4'-P energy: -149.452
bonds (distance) P-C4' energy: -146.588
flat angles C4'-P-C4' energy: -186.104
flat angles P-C4'-P energy: -128.426
tors. eta vs tors. theta energy: -232.621
Dist. restrs. and SS energy: 3.823 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -2700.692160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2700.692160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2706.746266 (E_RNA)
where:
Base-Base interactions energy: -1900.412
where: short stacking energy: -795.833
Base-Backbone interact. energy: -1.912
local terms energy: -804.422481
where:
bonds (distance) C4'-P energy: -143.558
bonds (distance) P-C4' energy: -133.457
flat angles C4'-P-C4' energy: -177.565
flat angles P-C4'-P energy: -123.090
tors. eta vs tors. theta energy: -226.753
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: 3, replica: 1
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -2636.674745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2636.674745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2639.102232 (E_RNA)
where:
Base-Base interactions energy: -1829.689
where: short stacking energy: -757.414
Base-Backbone interact. energy: -0.844
local terms energy: -808.569460
where:
bonds (distance) C4'-P energy: -158.856
bonds (distance) P-C4' energy: -153.675
flat angles C4'-P-C4' energy: -165.747
flat angles P-C4'-P energy: -97.329
tors. eta vs tors. theta energy: -232.964
Dist. restrs. and SS energy: 2.427 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -2565.989043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2565.989043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2570.252488 (E_RNA)
where:
Base-Base interactions energy: -1782.560
where: short stacking energy: -771.342
Base-Backbone interact. energy: -1.491
local terms energy: -786.201716
where:
bonds (distance) C4'-P energy: -133.472
bonds (distance) P-C4' energy: -139.306
flat angles C4'-P-C4' energy: -167.567
flat angles P-C4'-P energy: -117.696
tors. eta vs tors. theta energy: -228.161
Dist. restrs. and SS energy: 4.263 (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: 3
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -2432.721022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2432.721022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2438.144629 (E_RNA)
where:
Base-Base interactions energy: -1713.424
where: short stacking energy: -751.856
Base-Backbone interact. energy: -0.309
local terms energy: -724.412564
where:
bonds (distance) C4'-P energy: -122.766
bonds (distance) P-C4' energy: -128.450
flat angles C4'-P-C4' energy: -155.497
flat angles P-C4'-P energy: -101.876
tors. eta vs tors. theta energy: -215.824
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: 6, replica: 9
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -2396.504985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2396.504985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2402.501078 (E_RNA)
where:
Base-Base interactions energy: -1663.417
where: short stacking energy: -705.594
Base-Backbone interact. energy: -4.212
local terms energy: -734.871566
where:
bonds (distance) C4'-P energy: -132.191
bonds (distance) P-C4' energy: -124.927
flat angles C4'-P-C4' energy: -156.778
flat angles P-C4'-P energy: -104.691
tors. eta vs tors. theta energy: -216.285
Dist. restrs. and SS energy: 5.996 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -2277.669210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2277.669210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2289.559507 (E_RNA)
where:
Base-Base interactions energy: -1609.947
where: short stacking energy: -665.511
Base-Backbone interact. energy: 0.216
local terms energy: -679.828571
where:
bonds (distance) C4'-P energy: -120.682
bonds (distance) P-C4' energy: -127.899
flat angles C4'-P-C4' energy: -148.284
flat angles P-C4'-P energy: -95.618
tors. eta vs tors. theta energy: -187.345
Dist. restrs. and SS energy: 11.890 (S_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: 478
Temperature: 1.250000
Total energy: -2224.998781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2224.998781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2230.071908 (E_RNA)
where:
Base-Base interactions energy: -1593.629
where: short stacking energy: -656.933
Base-Backbone interact. energy: -2.348
local terms energy: -634.095161
where:
bonds (distance) C4'-P energy: -120.078
bonds (distance) P-C4' energy: -107.097
flat angles C4'-P-C4' energy: -128.950
flat angles P-C4'-P energy: -76.734
tors. eta vs tors. theta energy: -201.235
Dist. restrs. and SS energy: 5.073 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -2035.744050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2035.744050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2049.552295 (E_RNA)
where:
Base-Base interactions energy: -1424.469
where: short stacking energy: -595.444
Base-Backbone interact. energy: 2.030
local terms energy: -627.112471
where:
bonds (distance) C4'-P energy: -126.471
bonds (distance) P-C4' energy: -108.910
flat angles C4'-P-C4' energy: -140.668
flat angles P-C4'-P energy: -84.146
tors. eta vs tors. theta energy: -166.916
Dist. restrs. and SS energy: 13.808 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -1947.760619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1947.760619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.147810 (E_RNA)
where:
Base-Base interactions energy: -1390.199
where: short stacking energy: -589.583
Base-Backbone interact. energy: -0.967
local terms energy: -572.981190
where:
bonds (distance) C4'-P energy: -106.492
bonds (distance) P-C4' energy: -91.561
flat angles C4'-P-C4' energy: -138.270
flat angles P-C4'-P energy: -82.683
tors. eta vs tors. theta energy: -153.974
Dist. restrs. and SS energy: 16.387 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -2783.381493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2783.381493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2786.421233 (E_RNA)
where:
Base-Base interactions energy: -1969.713
where: short stacking energy: -848.139
Base-Backbone interact. energy: -2.364
local terms energy: -814.343956
where:
bonds (distance) C4'-P energy: -145.299
bonds (distance) P-C4' energy: -149.676
flat angles C4'-P-C4' energy: -172.246
flat angles P-C4'-P energy: -105.398
tors. eta vs tors. theta energy: -241.726
Dist. restrs. and SS energy: 3.040 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -2682.523068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2682.523068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2688.636881 (E_RNA)
where:
Base-Base interactions energy: -1873.424
where: short stacking energy: -773.163
Base-Backbone interact. energy: -0.267
local terms energy: -814.945554
where:
bonds (distance) C4'-P energy: -151.594
bonds (distance) P-C4' energy: -154.345
flat angles C4'-P-C4' energy: -167.606
flat angles P-C4'-P energy: -111.628
tors. eta vs tors. theta energy: -229.773
Dist. restrs. and SS energy: 6.114 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -2609.767401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2609.767401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2612.645591 (E_RNA)
where:
Base-Base interactions energy: -1823.848
where: short stacking energy: -794.623
Base-Backbone interact. energy: -3.551
local terms energy: -785.246046
where:
bonds (distance) C4'-P energy: -127.947
bonds (distance) P-C4' energy: -140.341
flat angles C4'-P-C4' energy: -160.440
flat angles P-C4'-P energy: -122.467
tors. eta vs tors. theta energy: -234.052
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: 4, replica: 8
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -2562.462347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2562.462347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2569.193139 (E_RNA)
where:
Base-Base interactions energy: -1788.887
where: short stacking energy: -758.924
Base-Backbone interact. energy: -3.211
local terms energy: -777.094954
where:
bonds (distance) C4'-P energy: -122.713
bonds (distance) P-C4' energy: -141.014
flat angles C4'-P-C4' energy: -167.285
flat angles P-C4'-P energy: -117.613
tors. eta vs tors. theta energy: -228.469
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: 5, replica: 3
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -2428.459260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2428.459260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2437.311206 (E_RNA)
where:
Base-Base interactions energy: -1687.774
where: short stacking energy: -726.246
Base-Backbone interact. energy: -4.201
local terms energy: -745.335947
where:
bonds (distance) C4'-P energy: -139.060
bonds (distance) P-C4' energy: -132.473
flat angles C4'-P-C4' energy: -156.392
flat angles P-C4'-P energy: -101.781
tors. eta vs tors. theta energy: -215.630
Dist. restrs. and SS energy: 8.852 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -2371.379828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2371.379828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2375.161242 (E_RNA)
where:
Base-Base interactions energy: -1660.379
where: short stacking energy: -687.835
Base-Backbone interact. energy: -5.144
local terms energy: -709.637862
where:
bonds (distance) C4'-P energy: -130.451
bonds (distance) P-C4' energy: -122.118
flat angles C4'-P-C4' energy: -155.613
flat angles P-C4'-P energy: -94.911
tors. eta vs tors. theta energy: -206.545
Dist. restrs. and SS energy: 3.781 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -2269.224503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2269.224503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2276.334518 (E_RNA)
where:
Base-Base interactions energy: -1576.621
where: short stacking energy: -662.251
Base-Backbone interact. energy: 1.749
local terms energy: -701.462536
where:
bonds (distance) C4'-P energy: -135.769
bonds (distance) P-C4' energy: -133.201
flat angles C4'-P-C4' energy: -135.928
flat angles P-C4'-P energy: -93.514
tors. eta vs tors. theta energy: -203.050
Dist. restrs. and SS energy: 7.110 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -2211.723793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2211.723793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2222.124595 (E_RNA)
where:
Base-Base interactions energy: -1568.031
where: short stacking energy: -665.716
Base-Backbone interact. energy: 5.158
local terms energy: -659.251511
where:
bonds (distance) C4'-P energy: -112.388
bonds (distance) P-C4' energy: -106.481
flat angles C4'-P-C4' energy: -134.070
flat angles P-C4'-P energy: -97.170
tors. eta vs tors. theta energy: -209.142
Dist. restrs. and SS energy: 10.401 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -2039.140842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2039.140842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2058.332938 (E_RNA)
where:
Base-Base interactions energy: -1438.404
where: short stacking energy: -621.661
Base-Backbone interact. energy: -0.101
local terms energy: -619.827933
where:
bonds (distance) C4'-P energy: -116.426
bonds (distance) P-C4' energy: -116.185
flat angles C4'-P-C4' energy: -143.332
flat angles P-C4'-P energy: -71.976
tors. eta vs tors. theta energy: -171.909
Dist. restrs. and SS energy: 19.192 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -1945.001613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1945.001613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1969.988235 (E_RNA)
where:
Base-Base interactions energy: -1388.667
where: short stacking energy: -573.287
Base-Backbone interact. energy: 0.152
local terms energy: -581.473696
where:
bonds (distance) C4'-P energy: -134.542
bonds (distance) P-C4' energy: -108.655
flat angles C4'-P-C4' energy: -121.097
flat angles P-C4'-P energy: -78.117
tors. eta vs tors. theta energy: -139.063
Dist. restrs. and SS energy: 24.987 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -2788.315004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2788.315004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2792.340251 (E_RNA)
where:
Base-Base interactions energy: -1928.014
where: short stacking energy: -832.692
Base-Backbone interact. energy: -0.822
local terms energy: -863.504288
where:
bonds (distance) C4'-P energy: -138.513
bonds (distance) P-C4' energy: -159.804
flat angles C4'-P-C4' energy: -187.761
flat angles P-C4'-P energy: -127.871
tors. eta vs tors. theta energy: -249.556
Dist. restrs. and SS energy: 4.025 (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: 5
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -2712.386446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2712.386446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2718.130749 (E_RNA)
where:
Base-Base interactions energy: -1921.350
where: short stacking energy: -811.365
Base-Backbone interact. energy: -1.916
local terms energy: -794.865171
where:
bonds (distance) C4'-P energy: -129.639
bonds (distance) P-C4' energy: -135.510
flat angles C4'-P-C4' energy: -171.205
flat angles P-C4'-P energy: -110.211
tors. eta vs tors. theta energy: -248.300
Dist. restrs. and SS energy: 5.744 (S_DIST_RNA)
chem. 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: -2625.505447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2625.505447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2631.960158 (E_RNA)
where:
Base-Base interactions energy: -1831.062
where: short stacking energy: -801.306
Base-Backbone interact. energy: -2.944
local terms energy: -797.955007
where:
bonds (distance) C4'-P energy: -144.353
bonds (distance) P-C4' energy: -139.190
flat angles C4'-P-C4' energy: -167.211
flat angles P-C4'-P energy: -108.274
tors. eta vs tors. theta energy: -238.928
Dist. restrs. and SS energy: 6.455 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -2552.661987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2552.661987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2556.905544 (E_RNA)
where:
Base-Base interactions energy: -1800.518
where: short stacking energy: -751.046
Base-Backbone interact. energy: -3.827
local terms energy: -752.561045
where:
bonds (distance) C4'-P energy: -131.776
bonds (distance) P-C4' energy: -132.033
flat angles C4'-P-C4' energy: -159.325
flat angles P-C4'-P energy: -106.722
tors. eta vs tors. theta energy: -222.704
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: 3
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -2428.200087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2428.200087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2433.552496 (E_RNA)
where:
Base-Base interactions energy: -1710.603
where: short stacking energy: -741.276
Base-Backbone interact. energy: -2.114
local terms energy: -720.836132
where:
bonds (distance) C4'-P energy: -118.815
bonds (distance) P-C4' energy: -118.141
flat angles C4'-P-C4' energy: -152.545
flat angles P-C4'-P energy: -103.985
tors. eta vs tors. theta energy: -227.351
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: 9
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -2360.150049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2360.150049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2370.706198 (E_RNA)
where:
Base-Base interactions energy: -1707.493
where: short stacking energy: -719.751
Base-Backbone interact. energy: 5.120
local terms energy: -668.333345
where:
bonds (distance) C4'-P energy: -118.256
bonds (distance) P-C4' energy: -115.192
flat angles C4'-P-C4' energy: -148.879
flat angles P-C4'-P energy: -80.330
tors. eta vs tors. theta energy: -205.677
Dist. restrs. and SS energy: 10.556 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -2258.536831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2258.536831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2268.583074 (E_RNA)
where:
Base-Base interactions energy: -1612.328
where: short stacking energy: -676.490
Base-Backbone interact. energy: 1.446
local terms energy: -657.701541
where:
bonds (distance) C4'-P energy: -93.567
bonds (distance) P-C4' energy: -128.351
flat angles C4'-P-C4' energy: -143.461
flat angles P-C4'-P energy: -94.857
tors. eta vs tors. theta energy: -197.464
Dist. restrs. and SS energy: 10.046 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -2206.183874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2206.183874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2217.497854 (E_RNA)
where:
Base-Base interactions energy: -1554.004
where: short stacking energy: -632.796
Base-Backbone interact. energy: 1.265
local terms energy: -664.758248
where:
bonds (distance) C4'-P energy: -123.997
bonds (distance) P-C4' energy: -130.023
flat angles C4'-P-C4' energy: -140.690
flat angles P-C4'-P energy: -71.421
tors. eta vs tors. theta energy: -198.627
Dist. restrs. and SS energy: 11.314 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -2051.414082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2051.414082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2063.458919 (E_RNA)
where:
Base-Base interactions energy: -1441.370
where: short stacking energy: -606.206
Base-Backbone interact. energy: -0.992
local terms energy: -621.096605
where:
bonds (distance) C4'-P energy: -98.065
bonds (distance) P-C4' energy: -118.276
flat angles C4'-P-C4' energy: -133.613
flat angles P-C4'-P energy: -93.771
tors. eta vs tors. theta energy: -177.372
Dist. restrs. and SS energy: 12.045 (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: 6
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -2024.669563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2024.669563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2050.769965 (E_RNA)
where:
Base-Base interactions energy: -1460.150
where: short stacking energy: -598.938
Base-Backbone interact. energy: -2.269
local terms energy: -588.350200
where:
bonds (distance) C4'-P energy: -90.807
bonds (distance) P-C4' energy: -108.213
flat angles C4'-P-C4' energy: -134.326
flat angles P-C4'-P energy: -78.874
tors. eta vs tors. theta energy: -176.130
Dist. restrs. and SS energy: 26.100 (S_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: 481
Temperature: 0.900000
Total energy: -2811.996924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2811.996924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2814.446671 (E_RNA)
where:
Base-Base interactions energy: -1945.303
where: short stacking energy: -828.901
Base-Backbone interact. energy: -2.081
local terms energy: -867.061734
where:
bonds (distance) C4'-P energy: -162.956
bonds (distance) P-C4' energy: -152.351
flat angles C4'-P-C4' energy: -178.670
flat angles P-C4'-P energy: -119.493
tors. eta vs tors. theta energy: -253.592
Dist. restrs. and SS energy: 2.450 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -2714.040775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2714.040775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2719.997559 (E_RNA)
where:
Base-Base interactions energy: -1918.765
where: short stacking energy: -812.477
Base-Backbone interact. energy: -2.660
local terms energy: -798.572464
where:
bonds (distance) C4'-P energy: -127.392
bonds (distance) P-C4' energy: -145.610
flat angles C4'-P-C4' energy: -161.563
flat angles P-C4'-P energy: -123.500
tors. eta vs tors. theta energy: -240.508
Dist. restrs. and SS energy: 5.957 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -2632.915246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2632.915246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2635.967350 (E_RNA)
where:
Base-Base interactions energy: -1865.491
where: short stacking energy: -769.328
Base-Backbone interact. energy: -2.603
local terms energy: -767.872824
where:
bonds (distance) C4'-P energy: -128.155
bonds (distance) P-C4' energy: -130.982
flat angles C4'-P-C4' energy: -170.157
flat angles P-C4'-P energy: -106.791
tors. eta vs tors. theta energy: -231.789
Dist. restrs. and SS energy: 3.052 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -2544.496529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2544.496529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2548.037537 (E_RNA)
where:
Base-Base interactions energy: -1793.906
where: short stacking energy: -743.156
Base-Backbone interact. energy: -2.916
local terms energy: -751.216171
where:
bonds (distance) C4'-P energy: -130.677
bonds (distance) P-C4' energy: -122.838
flat angles C4'-P-C4' energy: -166.074
flat angles P-C4'-P energy: -112.442
tors. eta vs tors. theta energy: -219.186
Dist. restrs. and SS energy: 3.541 (S_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: 481
Temperature: 1.100000
Total energy: -2402.425442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2402.425442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2412.932575 (E_RNA)
where:
Base-Base interactions energy: -1677.114
where: short stacking energy: -701.987
Base-Backbone interact. energy: -2.062
local terms energy: -733.755902
where:
bonds (distance) C4'-P energy: -117.561
bonds (distance) P-C4' energy: -136.403
flat angles C4'-P-C4' energy: -160.921
flat angles P-C4'-P energy: -108.762
tors. eta vs tors. theta energy: -210.109
Dist. restrs. and SS energy: 10.507 (S_DIST_RNA)
chem. 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: -2380.792071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2380.792071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2388.221729 (E_RNA)
where:
Base-Base interactions energy: -1693.990
where: short stacking energy: -715.581
Base-Backbone interact. energy: 1.422
local terms energy: -695.653415
where:
bonds (distance) C4'-P energy: -126.023
bonds (distance) P-C4' energy: -121.855
flat angles C4'-P-C4' energy: -142.738
flat angles P-C4'-P energy: -99.728
tors. eta vs tors. theta energy: -205.309
Dist. restrs. and SS energy: 7.430 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -2260.051100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2260.051100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2268.135415 (E_RNA)
where:
Base-Base interactions energy: -1598.386
where: short stacking energy: -655.952
Base-Backbone interact. energy: -4.684
local terms energy: -665.065870
where:
bonds (distance) C4'-P energy: -122.144
bonds (distance) P-C4' energy: -122.899
flat angles C4'-P-C4' energy: -147.506
flat angles P-C4'-P energy: -88.351
tors. eta vs tors. theta energy: -184.166
Dist. restrs. and SS energy: 8.084 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -2241.805496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2241.805496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2256.474837 (E_RNA)
where:
Base-Base interactions energy: -1599.859
where: short stacking energy: -661.409
Base-Backbone interact. energy: 2.883
local terms energy: -659.498635
where:
bonds (distance) C4'-P energy: -115.098
bonds (distance) P-C4' energy: -96.503
flat angles C4'-P-C4' energy: -138.780
flat angles P-C4'-P energy: -100.803
tors. eta vs tors. theta energy: -208.316
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: 9, replica: 4
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -2049.564265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2049.564265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2069.873122 (E_RNA)
where:
Base-Base interactions energy: -1446.732
where: short stacking energy: -625.661
Base-Backbone interact. energy: -0.893
local terms energy: -622.248111
where:
bonds (distance) C4'-P energy: -114.394
bonds (distance) P-C4' energy: -103.718
flat angles C4'-P-C4' energy: -149.734
flat angles P-C4'-P energy: -69.349
tors. eta vs tors. theta energy: -185.054
Dist. restrs. and SS energy: 20.309 (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: 481
Temperature: 1.350000
Total energy: -2017.836984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2017.836984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2035.168408 (E_RNA)
where:
Base-Base interactions energy: -1434.036
where: short stacking energy: -602.737
Base-Backbone interact. energy: -3.796
local terms energy: -597.336464
where:
bonds (distance) C4'-P energy: -110.887
bonds (distance) P-C4' energy: -98.594
flat angles C4'-P-C4' energy: -127.100
flat angles P-C4'-P energy: -75.594
tors. eta vs tors. theta energy: -185.161
Dist. restrs. and SS energy: 17.331 (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: 2
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -2810.291123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2810.291123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2813.683434 (E_RNA)
where:
Base-Base interactions energy: -1971.403
where: short stacking energy: -821.805
Base-Backbone interact. energy: 0.565
local terms energy: -842.845771
where:
bonds (distance) C4'-P energy: -139.997
bonds (distance) P-C4' energy: -149.216
flat angles C4'-P-C4' energy: -176.548
flat angles P-C4'-P energy: -125.571
tors. eta vs tors. theta energy: -251.514
Dist. restrs. and SS energy: 3.392 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -2694.224367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2694.224367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2700.449335 (E_RNA)
where:
Base-Base interactions energy: -1896.794
where: short stacking energy: -782.325
Base-Backbone interact. energy: -0.233
local terms energy: -803.422320
where:
bonds (distance) C4'-P energy: -140.364
bonds (distance) P-C4' energy: -132.492
flat angles C4'-P-C4' energy: -171.913
flat angles P-C4'-P energy: -118.948
tors. eta vs tors. theta energy: -239.707
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: 3, replica: 8
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -2622.857704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2622.857704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2626.669832 (E_RNA)
where:
Base-Base interactions energy: -1831.894
where: short stacking energy: -780.576
Base-Backbone interact. energy: 0.664
local terms energy: -795.440191
where:
bonds (distance) C4'-P energy: -136.352
bonds (distance) P-C4' energy: -146.423
flat angles C4'-P-C4' energy: -163.226
flat angles P-C4'-P energy: -120.023
tors. eta vs tors. theta energy: -229.416
Dist. restrs. and SS energy: 3.812 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -2572.397866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2572.397866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2576.050370 (E_RNA)
where:
Base-Base interactions energy: -1813.231
where: short stacking energy: -776.887
Base-Backbone interact. energy: -3.804
local terms energy: -759.014781
where:
bonds (distance) C4'-P energy: -130.646
bonds (distance) P-C4' energy: -126.511
flat angles C4'-P-C4' energy: -159.925
flat angles P-C4'-P energy: -106.903
tors. eta vs tors. theta energy: -235.031
Dist. restrs. and SS energy: 3.653 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -2410.870289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2410.870289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2418.605847 (E_RNA)
where:
Base-Base interactions energy: -1686.944
where: short stacking energy: -710.824
Base-Backbone interact. energy: 5.189
local terms energy: -736.850116
where:
bonds (distance) C4'-P energy: -125.630
bonds (distance) P-C4' energy: -142.599
flat angles C4'-P-C4' energy: -150.246
flat angles P-C4'-P energy: -102.739
tors. eta vs tors. theta energy: -215.636
Dist. restrs. and SS energy: 7.736 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -2387.504941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2387.504941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2393.128194 (E_RNA)
where:
Base-Base interactions energy: -1693.567
where: short stacking energy: -713.874
Base-Backbone interact. energy: -1.277
local terms energy: -698.283802
where:
bonds (distance) C4'-P energy: -134.158
bonds (distance) P-C4' energy: -108.627
flat angles C4'-P-C4' energy: -143.413
flat angles P-C4'-P energy: -97.862
tors. eta vs tors. theta energy: -214.223
Dist. restrs. and SS energy: 5.623 (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: 7
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -2281.633571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2281.633571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2290.906988 (E_RNA)
where:
Base-Base interactions energy: -1605.588
where: short stacking energy: -687.022
Base-Backbone interact. energy: -2.342
local terms energy: -682.977558
where:
bonds (distance) C4'-P energy: -120.568
bonds (distance) P-C4' energy: -130.488
flat angles C4'-P-C4' energy: -140.938
flat angles P-C4'-P energy: -91.275
tors. eta vs tors. theta energy: -199.709
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: 8, replica: 10
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -2244.319487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2244.319487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2254.121243 (E_RNA)
where:
Base-Base interactions energy: -1558.208
where: short stacking energy: -648.236
Base-Backbone interact. energy: 0.651
local terms energy: -696.564193
where:
bonds (distance) C4'-P energy: -119.126
bonds (distance) P-C4' energy: -138.656
flat angles C4'-P-C4' energy: -141.386
flat angles P-C4'-P energy: -98.553
tors. eta vs tors. theta energy: -198.843
Dist. restrs. and SS energy: 9.802 (S_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: 482
Temperature: 1.300000
Total energy: -2076.225000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2076.225000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2096.931844 (E_RNA)
where:
Base-Base interactions energy: -1445.907
where: short stacking energy: -618.935
Base-Backbone interact. energy: -2.252
local terms energy: -648.772145
where:
bonds (distance) C4'-P energy: -120.631
bonds (distance) P-C4' energy: -122.361
flat angles C4'-P-C4' energy: -149.228
flat angles P-C4'-P energy: -81.196
tors. eta vs tors. theta energy: -175.357
Dist. restrs. and SS energy: 20.707 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -2031.958822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2031.958822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2049.378337 (E_RNA)
where:
Base-Base interactions energy: -1454.924
where: short stacking energy: -629.929
Base-Backbone interact. energy: -1.586
local terms energy: -592.869008
where:
bonds (distance) C4'-P energy: -94.002
bonds (distance) P-C4' energy: -113.692
flat angles C4'-P-C4' energy: -140.966
flat angles P-C4'-P energy: -61.833
tors. eta vs tors. theta energy: -182.376
Dist. restrs. and SS energy: 17.420 (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: 2
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -2823.910285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2823.910285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2832.042481 (E_RNA)
where:
Base-Base interactions energy: -1990.826
where: short stacking energy: -849.257
Base-Backbone interact. energy: -0.924
local terms energy: -840.291846
where:
bonds (distance) C4'-P energy: -138.416
bonds (distance) P-C4' energy: -132.581
flat angles C4'-P-C4' energy: -181.656
flat angles P-C4'-P energy: -132.903
tors. eta vs tors. theta energy: -254.735
Dist. restrs. and SS energy: 8.132 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -2701.669954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2701.669954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2707.400233 (E_RNA)
where:
Base-Base interactions energy: -1900.662
where: short stacking energy: -803.653
Base-Backbone interact. energy: -0.304
local terms energy: -806.435160
where:
bonds (distance) C4'-P energy: -144.696
bonds (distance) P-C4' energy: -141.885
flat angles C4'-P-C4' energy: -166.267
flat angles P-C4'-P energy: -113.091
tors. eta vs tors. theta energy: -240.496
Dist. restrs. and SS energy: 5.730 (S_DIST_RNA)
chem. 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: -2618.351386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2618.351386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2621.653644 (E_RNA)
where:
Base-Base interactions energy: -1824.221
where: short stacking energy: -770.970
Base-Backbone interact. energy: -3.407
local terms energy: -794.025182
where:
bonds (distance) C4'-P energy: -147.572
bonds (distance) P-C4' energy: -140.066
flat angles C4'-P-C4' energy: -166.876
flat angles P-C4'-P energy: -108.224
tors. eta vs tors. theta energy: -231.288
Dist. restrs. and SS energy: 3.302 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -2588.466073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2588.466073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2592.007337 (E_RNA)
where:
Base-Base interactions energy: -1830.191
where: short stacking energy: -759.029
Base-Backbone interact. energy: -2.328
local terms energy: -759.487859
where:
bonds (distance) C4'-P energy: -128.998
bonds (distance) P-C4' energy: -133.264
flat angles C4'-P-C4' energy: -152.150
flat angles P-C4'-P energy: -111.330
tors. eta vs tors. theta energy: -233.745
Dist. restrs. and SS energy: 3.541 (S_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: 483
Temperature: 1.100000
Total energy: -2450.332689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2450.332689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2467.583264 (E_RNA)
where:
Base-Base interactions energy: -1728.728
where: short stacking energy: -750.064
Base-Backbone interact. energy: -2.409
local terms energy: -736.446490
where:
bonds (distance) C4'-P energy: -122.237
bonds (distance) P-C4' energy: -127.431
flat angles C4'-P-C4' energy: -151.991
flat angles P-C4'-P energy: -104.201
tors. eta vs tors. theta energy: -230.587
Dist. restrs. and SS energy: 17.251 (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: 9
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -2359.244646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2359.244646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2369.070069 (E_RNA)
where:
Base-Base interactions energy: -1662.033
where: short stacking energy: -680.332
Base-Backbone interact. energy: -2.745
local terms energy: -704.291878
where:
bonds (distance) C4'-P energy: -130.016
bonds (distance) P-C4' energy: -104.843
flat angles C4'-P-C4' energy: -174.475
flat angles P-C4'-P energy: -102.491
tors. eta vs tors. theta energy: -192.466
Dist. restrs. and SS energy: 9.825 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -2297.543422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2297.543422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2308.546339 (E_RNA)
where:
Base-Base interactions energy: -1630.156
where: short stacking energy: -668.033
Base-Backbone interact. energy: -3.085
local terms energy: -675.304900
where:
bonds (distance) C4'-P energy: -121.053
bonds (distance) P-C4' energy: -126.768
flat angles C4'-P-C4' energy: -122.652
flat angles P-C4'-P energy: -101.640
tors. eta vs tors. theta energy: -203.192
Dist. restrs. and SS energy: 11.003 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -2252.408494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2252.408494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2258.302694 (E_RNA)
where:
Base-Base interactions energy: -1587.076
where: short stacking energy: -631.007
Base-Backbone interact. energy: -0.937
local terms energy: -670.289680
where:
bonds (distance) C4'-P energy: -130.034
bonds (distance) P-C4' energy: -111.023
flat angles C4'-P-C4' energy: -129.694
flat angles P-C4'-P energy: -97.599
tors. eta vs tors. theta energy: -201.941
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: 9, replica: 4
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -2104.051657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2104.051657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2124.483969 (E_RNA)
where:
Base-Base interactions energy: -1455.330
where: short stacking energy: -607.918
Base-Backbone interact. energy: -1.420
local terms energy: -667.733201
where:
bonds (distance) C4'-P energy: -124.092
bonds (distance) P-C4' energy: -122.936
flat angles C4'-P-C4' energy: -146.244
flat angles P-C4'-P energy: -87.008
tors. eta vs tors. theta energy: -187.453
Dist. restrs. and SS energy: 20.432 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -2016.518417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2016.518417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2037.456228 (E_RNA)
where:
Base-Base interactions energy: -1440.350
where: short stacking energy: -598.435
Base-Backbone interact. energy: 0.592
local terms energy: -597.697911
where:
bonds (distance) C4'-P energy: -104.851
bonds (distance) P-C4' energy: -101.237
flat angles C4'-P-C4' energy: -142.057
flat angles P-C4'-P energy: -74.192
tors. eta vs tors. theta energy: -175.361
Dist. restrs. and SS energy: 20.938 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -2821.233311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2821.233311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2824.069979 (E_RNA)
where:
Base-Base interactions energy: -1981.879
where: short stacking energy: -849.602
Base-Backbone interact. energy: -3.346
local terms energy: -838.844894
where:
bonds (distance) C4'-P energy: -130.968
bonds (distance) P-C4' energy: -152.968
flat angles C4'-P-C4' energy: -173.139
flat angles P-C4'-P energy: -127.758
tors. eta vs tors. theta energy: -254.011
Dist. restrs. and SS energy: 2.837 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -2696.842942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2696.842942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2701.200906 (E_RNA)
where:
Base-Base interactions energy: -1901.742
where: short stacking energy: -820.787
Base-Backbone interact. energy: -3.296
local terms energy: -796.163084
where:
bonds (distance) C4'-P energy: -133.674
bonds (distance) P-C4' energy: -145.277
flat angles C4'-P-C4' energy: -163.833
flat angles P-C4'-P energy: -113.600
tors. eta vs tors. theta energy: -239.780
Dist. restrs. and SS energy: 4.358 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -2614.826986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2614.826986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2619.316647 (E_RNA)
where:
Base-Base interactions energy: -1847.837
where: short stacking energy: -788.131
Base-Backbone interact. energy: -3.412
local terms energy: -768.067481
where:
bonds (distance) C4'-P energy: -135.017
bonds (distance) P-C4' energy: -136.035
flat angles C4'-P-C4' energy: -162.244
flat angles P-C4'-P energy: -114.655
tors. eta vs tors. theta energy: -220.116
Dist. restrs. and SS energy: 4.490 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -2562.930668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2562.930668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2568.379549 (E_RNA)
where:
Base-Base interactions energy: -1829.143
where: short stacking energy: -750.791
Base-Backbone interact. energy: 2.650
local terms energy: -741.886591
where:
bonds (distance) C4'-P energy: -134.379
bonds (distance) P-C4' energy: -109.151
flat angles C4'-P-C4' energy: -164.440
flat angles P-C4'-P energy: -98.283
tors. eta vs tors. theta energy: -235.634
Dist. restrs. and SS energy: 5.449 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -2445.058484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2445.058484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2451.694996 (E_RNA)
where:
Base-Base interactions energy: -1699.286
where: short stacking energy: -726.048
Base-Backbone interact. energy: -2.693
local terms energy: -749.715348
where:
bonds (distance) C4'-P energy: -120.885
bonds (distance) P-C4' energy: -142.559
flat angles C4'-P-C4' energy: -156.803
flat angles P-C4'-P energy: -108.894
tors. eta vs tors. theta energy: -220.574
Dist. restrs. and SS energy: 6.637 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -2361.797452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2361.797452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2367.178039 (E_RNA)
where:
Base-Base interactions energy: -1672.214
where: short stacking energy: -688.953
Base-Backbone interact. energy: -1.771
local terms energy: -693.192617
where:
bonds (distance) C4'-P energy: -112.746
bonds (distance) P-C4' energy: -125.203
flat angles C4'-P-C4' energy: -158.445
flat angles P-C4'-P energy: -96.728
tors. eta vs tors. theta energy: -200.071
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: 7, replica: 10
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -2279.482188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2279.482188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2287.874153 (E_RNA)
where:
Base-Base interactions energy: -1596.861
where: short stacking energy: -674.290
Base-Backbone interact. energy: -2.342
local terms energy: -688.670787
where:
bonds (distance) C4'-P energy: -103.523
bonds (distance) P-C4' energy: -142.859
flat angles C4'-P-C4' energy: -155.991
flat angles P-C4'-P energy: -80.372
tors. eta vs tors. theta energy: -205.925
Dist. restrs. and SS energy: 8.392 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -2217.780939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2217.780939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2224.700354 (E_RNA)
where:
Base-Base interactions energy: -1583.425
where: short stacking energy: -656.064
Base-Backbone interact. energy: 7.645
local terms energy: -648.919598
where:
bonds (distance) C4'-P energy: -109.482
bonds (distance) P-C4' energy: -138.066
flat angles C4'-P-C4' energy: -126.762
flat angles P-C4'-P energy: -89.722
tors. eta vs tors. theta energy: -184.888
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: 9, replica: 4
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -2074.829352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2074.829352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2094.122259 (E_RNA)
where:
Base-Base interactions energy: -1452.280
where: short stacking energy: -595.869
Base-Backbone interact. energy: -4.015
local terms energy: -637.826536
where:
bonds (distance) C4'-P energy: -125.881
bonds (distance) P-C4' energy: -121.961
flat angles C4'-P-C4' energy: -129.691
flat angles P-C4'-P energy: -82.662
tors. eta vs tors. theta energy: -177.633
Dist. restrs. and SS energy: 19.293 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -2076.555399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2076.555399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.472148 (E_RNA)
where:
Base-Base interactions energy: -1461.864
where: short stacking energy: -606.272
Base-Backbone interact. energy: -0.421
local terms energy: -631.187638
where:
bonds (distance) C4'-P energy: -117.620
bonds (distance) P-C4' energy: -106.251
flat angles C4'-P-C4' energy: -135.281
flat angles P-C4'-P energy: -86.731
tors. eta vs tors. theta energy: -185.305
Dist. restrs. and SS energy: 16.917 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -2800.451909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2800.451909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2803.441363 (E_RNA)
where:
Base-Base interactions energy: -1972.727
where: short stacking energy: -818.564
Base-Backbone interact. energy: -2.978
local terms energy: -827.735507
where:
bonds (distance) C4'-P energy: -139.446
bonds (distance) P-C4' energy: -133.393
flat angles C4'-P-C4' energy: -167.940
flat angles P-C4'-P energy: -134.941
tors. eta vs tors. theta energy: -252.016
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: 5
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -2699.121829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2699.121829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2705.125456 (E_RNA)
where:
Base-Base interactions energy: -1896.693
where: short stacking energy: -815.009
Base-Backbone interact. energy: -0.053
local terms energy: -808.379482
where:
bonds (distance) C4'-P energy: -137.644
bonds (distance) P-C4' energy: -139.135
flat angles C4'-P-C4' energy: -174.270
flat angles P-C4'-P energy: -110.768
tors. eta vs tors. theta energy: -246.562
Dist. restrs. and SS energy: 6.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -2613.722300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2613.722300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2618.955275 (E_RNA)
where:
Base-Base interactions energy: -1847.686
where: short stacking energy: -803.742
Base-Backbone interact. energy: -1.018
local terms energy: -770.251701
where:
bonds (distance) C4'-P energy: -123.553
bonds (distance) P-C4' energy: -133.336
flat angles C4'-P-C4' energy: -163.502
flat angles P-C4'-P energy: -108.010
tors. eta vs tors. theta energy: -241.852
Dist. restrs. and SS energy: 5.233 (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: 485
Temperature: 1.050000
Total energy: -2554.900078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2554.900078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2560.559343 (E_RNA)
where:
Base-Base interactions energy: -1795.329
where: short stacking energy: -749.172
Base-Backbone interact. energy: -3.744
local terms energy: -761.485544
where:
bonds (distance) C4'-P energy: -136.295
bonds (distance) P-C4' energy: -141.444
flat angles C4'-P-C4' energy: -148.046
flat angles P-C4'-P energy: -107.282
tors. eta vs tors. theta energy: -228.419
Dist. restrs. and SS energy: 5.659 (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: 3
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -2442.492800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2442.492800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2448.133652 (E_RNA)
where:
Base-Base interactions energy: -1709.154
where: short stacking energy: -714.674
Base-Backbone interact. energy: -3.367
local terms energy: -735.612717
where:
bonds (distance) C4'-P energy: -129.923
bonds (distance) P-C4' energy: -134.022
flat angles C4'-P-C4' energy: -155.581
flat angles P-C4'-P energy: -104.197
tors. eta vs tors. theta energy: -211.890
Dist. restrs. and SS energy: 5.641 (S_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: -2368.936877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2368.936877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2378.402497 (E_RNA)
where:
Base-Base interactions energy: -1655.237
where: short stacking energy: -713.128
Base-Backbone interact. energy: 0.079
local terms energy: -723.244183
where:
bonds (distance) C4'-P energy: -132.823
bonds (distance) P-C4' energy: -125.173
flat angles C4'-P-C4' energy: -157.272
flat angles P-C4'-P energy: -94.380
tors. eta vs tors. theta energy: -213.596
Dist. restrs. and SS energy: 9.466 (S_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: 485
Temperature: 1.200000
Total energy: -2315.740050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2315.740050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2324.610366 (E_RNA)
where:
Base-Base interactions energy: -1649.306
where: short stacking energy: -669.425
Base-Backbone interact. energy: 1.798
local terms energy: -677.101889
where:
bonds (distance) C4'-P energy: -108.319
bonds (distance) P-C4' energy: -118.725
flat angles C4'-P-C4' energy: -151.748
flat angles P-C4'-P energy: -97.771
tors. eta vs tors. theta energy: -200.539
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: 8, replica: 7
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -2193.511504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2193.511504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2206.870702 (E_RNA)
where:
Base-Base interactions energy: -1513.737
where: short stacking energy: -655.635
Base-Backbone interact. energy: 4.336
local terms energy: -697.469265
where:
bonds (distance) C4'-P energy: -113.385
bonds (distance) P-C4' energy: -143.146
flat angles C4'-P-C4' energy: -133.227
flat angles P-C4'-P energy: -106.977
tors. eta vs tors. theta energy: -200.734
Dist. restrs. and SS energy: 13.359 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -2029.750687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2029.750687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2052.981164 (E_RNA)
where:
Base-Base interactions energy: -1446.973
where: short stacking energy: -611.712
Base-Backbone interact. energy: 5.449
local terms energy: -611.457184
where:
bonds (distance) C4'-P energy: -92.074
bonds (distance) P-C4' energy: -122.964
flat angles C4'-P-C4' energy: -152.343
flat angles P-C4'-P energy: -80.036
tors. eta vs tors. theta energy: -164.040
Dist. restrs. and SS energy: 23.230 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -1982.858409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1982.858409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.623433 (E_RNA)
where:
Base-Base interactions energy: -1451.524
where: short stacking energy: -599.041
Base-Backbone interact. energy: -3.630
local terms energy: -547.469087
where:
bonds (distance) C4'-P energy: -84.424
bonds (distance) P-C4' energy: -86.089
flat angles C4'-P-C4' energy: -127.859
flat angles P-C4'-P energy: -74.024
tors. eta vs tors. theta energy: -175.074
Dist. restrs. and SS energy: 19.765 (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: 2
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -2801.648265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2801.648265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2806.593232 (E_RNA)
where:
Base-Base interactions energy: -1965.365
where: short stacking energy: -828.936
Base-Backbone interact. energy: -2.255
local terms energy: -838.973672
where:
bonds (distance) C4'-P energy: -134.552
bonds (distance) P-C4' energy: -151.184
flat angles C4'-P-C4' energy: -169.428
flat angles P-C4'-P energy: -131.016
tors. eta vs tors. theta energy: -252.794
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: 2, replica: 5
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -2708.844083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2708.844083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2716.221751 (E_RNA)
where:
Base-Base interactions energy: -1892.673
where: short stacking energy: -825.470
Base-Backbone interact. energy: -6.197
local terms energy: -817.351976
where:
bonds (distance) C4'-P energy: -134.188
bonds (distance) P-C4' energy: -138.621
flat angles C4'-P-C4' energy: -174.456
flat angles P-C4'-P energy: -129.556
tors. eta vs tors. theta energy: -240.530
Dist. restrs. and SS energy: 7.378 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -2576.162996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2576.162996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2580.119009 (E_RNA)
where:
Base-Base interactions energy: -1822.570
where: short stacking energy: -756.645
Base-Backbone interact. energy: -2.358
local terms energy: -755.191028
where:
bonds (distance) C4'-P energy: -134.653
bonds (distance) P-C4' energy: -126.768
flat angles C4'-P-C4' energy: -162.765
flat angles P-C4'-P energy: -111.324
tors. eta vs tors. theta energy: -219.681
Dist. restrs. and SS energy: 3.956 (S_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: 486
Temperature: 1.050000
Total energy: -2567.992336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2567.992336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2572.773553 (E_RNA)
where:
Base-Base interactions energy: -1810.457
where: short stacking energy: -763.203
Base-Backbone interact. energy: -1.583
local terms energy: -760.733429
where:
bonds (distance) C4'-P energy: -140.476
bonds (distance) P-C4' energy: -143.370
flat angles C4'-P-C4' energy: -158.042
flat angles P-C4'-P energy: -91.935
tors. eta vs tors. theta energy: -226.911
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: 10
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -2436.019318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2436.019318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2450.795255 (E_RNA)
where:
Base-Base interactions energy: -1721.813
where: short stacking energy: -713.378
Base-Backbone interact. energy: -3.238
local terms energy: -725.743795
where:
bonds (distance) C4'-P energy: -133.171
bonds (distance) P-C4' energy: -124.161
flat angles C4'-P-C4' energy: -152.823
flat angles P-C4'-P energy: -102.439
tors. eta vs tors. theta energy: -213.149
Dist. restrs. and SS energy: 14.776 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -2365.968372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2365.968372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2374.548614 (E_RNA)
where:
Base-Base interactions energy: -1683.023
where: short stacking energy: -717.769
Base-Backbone interact. energy: -4.036
local terms energy: -687.489324
where:
bonds (distance) C4'-P energy: -107.159
bonds (distance) P-C4' energy: -126.661
flat angles C4'-P-C4' energy: -149.921
flat angles P-C4'-P energy: -90.587
tors. eta vs tors. theta energy: -213.161
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: 7, replica: 9
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -2265.402345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2265.402345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2279.843730 (E_RNA)
where:
Base-Base interactions energy: -1605.702
where: short stacking energy: -684.699
Base-Backbone interact. energy: -1.199
local terms energy: -672.942710
where:
bonds (distance) C4'-P energy: -118.597
bonds (distance) P-C4' energy: -117.238
flat angles C4'-P-C4' energy: -151.701
flat angles P-C4'-P energy: -86.793
tors. eta vs tors. theta energy: -198.614
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: 8, replica: 7
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -2171.106680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2171.106680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2184.024051 (E_RNA)
where:
Base-Base interactions energy: -1535.898
where: short stacking energy: -637.200
Base-Backbone interact. energy: -2.717
local terms energy: -645.409535
where:
bonds (distance) C4'-P energy: -130.311
bonds (distance) P-C4' energy: -108.170
flat angles C4'-P-C4' energy: -134.102
flat angles P-C4'-P energy: -88.098
tors. eta vs tors. theta energy: -184.728
Dist. restrs. and SS energy: 12.917 (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: 4
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -1989.862642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1989.862642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.333184 (E_RNA)
where:
Base-Base interactions energy: -1420.334
where: short stacking energy: -560.222
Base-Backbone interact. energy: -1.600
local terms energy: -580.399418
where:
bonds (distance) C4'-P energy: -102.640
bonds (distance) P-C4' energy: -119.762
flat angles C4'-P-C4' energy: -139.427
flat angles P-C4'-P energy: -60.554
tors. eta vs tors. theta energy: -158.016
Dist. restrs. and SS energy: 12.471 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -1983.848079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1983.848079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2001.553527 (E_RNA)
where:
Base-Base interactions energy: -1428.356
where: short stacking energy: -600.526
Base-Backbone interact. energy: -3.307
local terms energy: -569.890935
where:
bonds (distance) C4'-P energy: -93.071
bonds (distance) P-C4' energy: -99.786
flat angles C4'-P-C4' energy: -120.590
flat angles P-C4'-P energy: -74.487
tors. eta vs tors. theta energy: -181.956
Dist. restrs. and SS energy: 17.705 (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: 2
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -2794.921137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2794.921137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2797.868429 (E_RNA)
where:
Base-Base interactions energy: -1954.917
where: short stacking energy: -813.741
Base-Backbone interact. energy: -1.888
local terms energy: -841.063558
where:
bonds (distance) C4'-P energy: -145.055
bonds (distance) P-C4' energy: -158.123
flat angles C4'-P-C4' energy: -169.329
flat angles P-C4'-P energy: -122.346
tors. eta vs tors. theta energy: -246.210
Dist. restrs. and SS energy: 2.947 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -2732.589069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2732.589069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2739.013723 (E_RNA)
where:
Base-Base interactions energy: -1915.224
where: short stacking energy: -806.020
Base-Backbone interact. energy: -5.484
local terms energy: -818.305321
where:
bonds (distance) C4'-P energy: -149.827
bonds (distance) P-C4' energy: -140.728
flat angles C4'-P-C4' energy: -175.112
flat angles P-C4'-P energy: -112.685
tors. eta vs tors. theta energy: -239.954
Dist. restrs. and SS energy: 6.425 (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: 1
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -2603.991847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2603.991847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2609.084362 (E_RNA)
where:
Base-Base interactions energy: -1818.443
where: short stacking energy: -764.705
Base-Backbone interact. energy: -1.891
local terms energy: -788.750453
where:
bonds (distance) C4'-P energy: -152.635
bonds (distance) P-C4' energy: -131.845
flat angles C4'-P-C4' energy: -171.929
flat angles P-C4'-P energy: -103.538
tors. eta vs tors. theta energy: -228.803
Dist. restrs. and SS energy: 5.093 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -2608.599500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2608.599500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2612.047959 (E_RNA)
where:
Base-Base interactions energy: -1822.103
where: short stacking energy: -772.143
Base-Backbone interact. energy: -0.974
local terms energy: -788.971563
where:
bonds (distance) C4'-P energy: -153.334
bonds (distance) P-C4' energy: -126.889
flat angles C4'-P-C4' energy: -161.317
flat angles P-C4'-P energy: -115.315
tors. eta vs tors. theta energy: -232.116
Dist. restrs. and SS energy: 3.448 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -2447.215042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2447.215042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2454.556804 (E_RNA)
where:
Base-Base interactions energy: -1691.714
where: short stacking energy: -712.342
Base-Backbone interact. energy: -1.652
local terms energy: -761.190689
where:
bonds (distance) C4'-P energy: -139.202
bonds (distance) P-C4' energy: -137.216
flat angles C4'-P-C4' energy: -153.954
flat angles P-C4'-P energy: -112.745
tors. eta vs tors. theta energy: -218.073
Dist. restrs. and SS energy: 7.342 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -2352.317844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2352.317844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2360.593263 (E_RNA)
where:
Base-Base interactions energy: -1644.009
where: short stacking energy: -666.748
Base-Backbone interact. energy: -1.784
local terms energy: -714.800569
where:
bonds (distance) C4'-P energy: -135.744
bonds (distance) P-C4' energy: -120.818
flat angles C4'-P-C4' energy: -154.198
flat angles P-C4'-P energy: -100.053
tors. eta vs tors. theta energy: -203.987
Dist. restrs. and SS energy: 8.275 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -2249.848682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2249.848682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2259.676323 (E_RNA)
where:
Base-Base interactions energy: -1595.959
where: short stacking energy: -657.154
Base-Backbone interact. energy: -0.539
local terms energy: -663.178787
where:
bonds (distance) C4'-P energy: -116.942
bonds (distance) P-C4' energy: -120.418
flat angles C4'-P-C4' energy: -146.548
flat angles P-C4'-P energy: -92.910
tors. eta vs tors. theta energy: -186.361
Dist. restrs. and SS energy: 9.828 (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: 7
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -2183.513687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2183.513687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2192.207876 (E_RNA)
where:
Base-Base interactions energy: -1565.051
where: short stacking energy: -608.608
Base-Backbone interact. energy: 2.887
local terms energy: -630.043691
where:
bonds (distance) C4'-P energy: -117.966
bonds (distance) P-C4' energy: -125.888
flat angles C4'-P-C4' energy: -139.275
flat angles P-C4'-P energy: -75.362
tors. eta vs tors. theta energy: -171.553
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: 9, replica: 4
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -2088.166414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.166414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.246685 (E_RNA)
where:
Base-Base interactions energy: -1476.425
where: short stacking energy: -613.125
Base-Backbone interact. energy: -5.897
local terms energy: -623.924967
where:
bonds (distance) C4'-P energy: -106.933
bonds (distance) P-C4' energy: -127.084
flat angles C4'-P-C4' energy: -129.016
flat angles P-C4'-P energy: -74.665
tors. eta vs tors. theta energy: -186.227
Dist. restrs. and SS energy: 18.080 (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: 6
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -1983.724655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1983.724655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2001.155724 (E_RNA)
where:
Base-Base interactions energy: -1429.181
where: short stacking energy: -598.955
Base-Backbone interact. energy: -1.315
local terms energy: -570.659451
where:
bonds (distance) C4'-P energy: -84.458
bonds (distance) P-C4' energy: -108.009
flat angles C4'-P-C4' energy: -133.034
flat angles P-C4'-P energy: -77.810
tors. eta vs tors. theta energy: -167.348
Dist. restrs. and SS energy: 17.431 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -2818.981816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2818.981816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2823.649832 (E_RNA)
where:
Base-Base interactions energy: -1986.461
where: short stacking energy: -829.331
Base-Backbone interact. energy: 4.268
local terms energy: -841.456555
where:
bonds (distance) C4'-P energy: -133.695
bonds (distance) P-C4' energy: -143.564
flat angles C4'-P-C4' energy: -176.696
flat angles P-C4'-P energy: -133.194
tors. eta vs tors. theta energy: -254.307
Dist. restrs. and SS energy: 4.668 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -2697.699721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2697.699721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2705.913649 (E_RNA)
where:
Base-Base interactions energy: -1896.715
where: short stacking energy: -799.400
Base-Backbone interact. energy: -2.194
local terms energy: -807.004901
where:
bonds (distance) C4'-P energy: -126.589
bonds (distance) P-C4' energy: -142.424
flat angles C4'-P-C4' energy: -178.859
flat angles P-C4'-P energy: -120.707
tors. eta vs tors. theta energy: -238.426
Dist. restrs. and SS energy: 8.214 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -2634.660820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2634.660820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2638.213253 (E_RNA)
where:
Base-Base interactions energy: -1841.642
where: short stacking energy: -807.600
Base-Backbone interact. energy: -4.143
local terms energy: -792.427750
where:
bonds (distance) C4'-P energy: -135.245
bonds (distance) P-C4' energy: -131.697
flat angles C4'-P-C4' energy: -160.518
flat angles P-C4'-P energy: -113.570
tors. eta vs tors. theta energy: -251.399
Dist. restrs. and SS energy: 3.552 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -2548.543091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2548.543091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2552.947052 (E_RNA)
where:
Base-Base interactions energy: -1760.650
where: short stacking energy: -740.253
Base-Backbone interact. energy: -3.885
local terms energy: -788.411952
where:
bonds (distance) C4'-P energy: -145.422
bonds (distance) P-C4' energy: -137.206
flat angles C4'-P-C4' energy: -163.073
flat angles P-C4'-P energy: -116.258
tors. eta vs tors. theta energy: -226.453
Dist. restrs. and SS energy: 4.404 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -2473.320222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2473.320222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2483.245990 (E_RNA)
where:
Base-Base interactions energy: -1756.631
where: short stacking energy: -755.026
Base-Backbone interact. energy: -2.550
local terms energy: -724.065573
where:
bonds (distance) C4'-P energy: -137.405
bonds (distance) P-C4' energy: -127.974
flat angles C4'-P-C4' energy: -133.151
flat angles P-C4'-P energy: -98.033
tors. eta vs tors. theta energy: -227.501
Dist. restrs. and SS energy: 9.926 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -2373.260496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2373.260496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2380.795590 (E_RNA)
where:
Base-Base interactions energy: -1669.169
where: short stacking energy: -699.801
Base-Backbone interact. energy: 0.904
local terms energy: -712.530371
where:
bonds (distance) C4'-P energy: -126.746
bonds (distance) P-C4' energy: -137.591
flat angles C4'-P-C4' energy: -154.217
flat angles P-C4'-P energy: -88.738
tors. eta vs tors. theta energy: -205.239
Dist. restrs. and SS energy: 7.535 (S_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: 488
Temperature: 1.200000
Total energy: -2266.686442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2266.686442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2278.259216 (E_RNA)
where:
Base-Base interactions energy: -1584.583
where: short stacking energy: -697.571
Base-Backbone interact. energy: 2.290
local terms energy: -695.965645
where:
bonds (distance) C4'-P energy: -132.438
bonds (distance) P-C4' energy: -128.435
flat angles C4'-P-C4' energy: -146.865
flat angles P-C4'-P energy: -89.382
tors. eta vs tors. theta energy: -198.845
Dist. restrs. and SS energy: 11.573 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -2179.578356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2179.578356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2188.623991 (E_RNA)
where:
Base-Base interactions energy: -1538.404
where: short stacking energy: -641.296
Base-Backbone interact. energy: -0.915
local terms energy: -649.305026
where:
bonds (distance) C4'-P energy: -121.733
bonds (distance) P-C4' energy: -122.486
flat angles C4'-P-C4' energy: -132.048
flat angles P-C4'-P energy: -86.444
tors. eta vs tors. theta energy: -186.594
Dist. restrs. and SS energy: 9.046 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -2079.669529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2079.669529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.842587 (E_RNA)
where:
Base-Base interactions energy: -1463.250
where: short stacking energy: -606.569
Base-Backbone interact. energy: 8.237
local terms energy: -633.829898
where:
bonds (distance) C4'-P energy: -117.691
bonds (distance) P-C4' energy: -109.011
flat angles C4'-P-C4' energy: -129.698
flat angles P-C4'-P energy: -94.420
tors. eta vs tors. theta energy: -183.009
Dist. restrs. and SS energy: 9.173 (S_DIST_RNA)
chem. 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: -1998.217662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1998.217662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2010.700072 (E_RNA)
where:
Base-Base interactions energy: -1398.897
where: short stacking energy: -579.916
Base-Backbone interact. energy: -1.834
local terms energy: -609.968796
where:
bonds (distance) C4'-P energy: -107.070
bonds (distance) P-C4' energy: -113.996
flat angles C4'-P-C4' energy: -117.817
flat angles P-C4'-P energy: -97.672
tors. eta vs tors. theta energy: -173.414
Dist. restrs. and SS energy: 12.482 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -2832.114423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2832.114423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2835.329513 (E_RNA)
where:
Base-Base interactions energy: -1990.808
where: short stacking energy: -853.277
Base-Backbone interact. energy: -0.480
local terms energy: -844.041612
where:
bonds (distance) C4'-P energy: -141.624
bonds (distance) P-C4' energy: -150.546
flat angles C4'-P-C4' energy: -166.847
flat angles P-C4'-P energy: -123.555
tors. eta vs tors. theta energy: -261.470
Dist. restrs. and SS energy: 3.215 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -2702.340043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2702.340043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2709.416581 (E_RNA)
where:
Base-Base interactions energy: -1908.649
where: short stacking energy: -804.769
Base-Backbone interact. energy: -6.088
local terms energy: -794.679903
where:
bonds (distance) C4'-P energy: -132.207
bonds (distance) P-C4' energy: -140.288
flat angles C4'-P-C4' energy: -175.386
flat angles P-C4'-P energy: -116.219
tors. eta vs tors. theta energy: -230.580
Dist. restrs. and SS energy: 7.077 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -2631.416016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2631.416016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2635.359304 (E_RNA)
where:
Base-Base interactions energy: -1839.302
where: short stacking energy: -798.165
Base-Backbone interact. energy: 1.233
local terms energy: -797.290823
where:
bonds (distance) C4'-P energy: -150.745
bonds (distance) P-C4' energy: -117.766
flat angles C4'-P-C4' energy: -164.788
flat angles P-C4'-P energy: -122.076
tors. eta vs tors. theta energy: -241.915
Dist. restrs. and SS energy: 3.943 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -2496.732958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2496.732958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2505.664130 (E_RNA)
where:
Base-Base interactions energy: -1743.879
where: short stacking energy: -701.671
Base-Backbone interact. energy: -5.559
local terms energy: -756.226329
where:
bonds (distance) C4'-P energy: -138.350
bonds (distance) P-C4' energy: -136.424
flat angles C4'-P-C4' energy: -162.636
flat angles P-C4'-P energy: -105.457
tors. eta vs tors. theta energy: -213.359
Dist. restrs. and SS energy: 8.931 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -2457.460009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2457.460009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2459.626329 (E_RNA)
where:
Base-Base interactions energy: -1740.010
where: short stacking energy: -742.046
Base-Backbone interact. energy: -2.021
local terms energy: -717.595901
where:
bonds (distance) C4'-P energy: -120.203
bonds (distance) P-C4' energy: -119.179
flat angles C4'-P-C4' energy: -144.855
flat angles P-C4'-P energy: -104.703
tors. eta vs tors. theta energy: -228.656
Dist. restrs. and SS energy: 2.166 (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: 9
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -2377.828407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2377.828407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2383.331352 (E_RNA)
where:
Base-Base interactions energy: -1674.660
where: short stacking energy: -684.742
Base-Backbone interact. energy: -1.181
local terms energy: -707.489965
where:
bonds (distance) C4'-P energy: -122.068
bonds (distance) P-C4' energy: -122.739
flat angles C4'-P-C4' energy: -154.645
flat angles P-C4'-P energy: -93.127
tors. eta vs tors. theta energy: -214.911
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: 7, replica: 3
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -2287.146291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2287.146291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2298.742460 (E_RNA)
where:
Base-Base interactions energy: -1627.562
where: short stacking energy: -666.382
Base-Backbone interact. energy: -0.002
local terms energy: -671.178793
where:
bonds (distance) C4'-P energy: -128.030
bonds (distance) P-C4' energy: -128.166
flat angles C4'-P-C4' energy: -138.926
flat angles P-C4'-P energy: -86.751
tors. eta vs tors. theta energy: -189.306
Dist. restrs. and SS energy: 11.596 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -2223.205373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2223.205373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2230.154340 (E_RNA)
where:
Base-Base interactions energy: -1584.742
where: short stacking energy: -668.078
Base-Backbone interact. energy: 2.930
local terms energy: -648.342805
where:
bonds (distance) C4'-P energy: -110.133
bonds (distance) P-C4' energy: -120.579
flat angles C4'-P-C4' energy: -140.550
flat angles P-C4'-P energy: -81.816
tors. eta vs tors. theta energy: -195.265
Dist. restrs. and SS energy: 6.949 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -2056.696245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2056.696245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.512681 (E_RNA)
where:
Base-Base interactions energy: -1459.750
where: short stacking energy: -615.573
Base-Backbone interact. energy: -1.634
local terms energy: -610.128303
where:
bonds (distance) C4'-P energy: -97.427
bonds (distance) P-C4' energy: -111.033
flat angles C4'-P-C4' energy: -132.002
flat angles P-C4'-P energy: -94.670
tors. eta vs tors. theta energy: -174.996
Dist. restrs. and SS energy: 14.816 (S_DIST_RNA)
chem. 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: -2007.461732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2007.461732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2019.732382 (E_RNA)
where:
Base-Base interactions energy: -1415.267
where: short stacking energy: -591.281
Base-Backbone interact. energy: 0.904
local terms energy: -605.369493
where:
bonds (distance) C4'-P energy: -110.329
bonds (distance) P-C4' energy: -93.844
flat angles C4'-P-C4' energy: -140.831
flat angles P-C4'-P energy: -82.275
tors. eta vs tors. theta energy: -178.090
Dist. restrs. and SS energy: 12.271 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -2798.370005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2798.370005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2801.074357 (E_RNA)
where:
Base-Base interactions energy: -1973.500
where: short stacking energy: -825.279
Base-Backbone interact. energy: -1.831
local terms energy: -825.742682
where:
bonds (distance) C4'-P energy: -141.069
bonds (distance) P-C4' energy: -143.162
flat angles C4'-P-C4' energy: -173.710
flat angles P-C4'-P energy: -111.842
tors. eta vs tors. theta energy: -255.959
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: 5
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -2693.225813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2693.225813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2700.264317 (E_RNA)
where:
Base-Base interactions energy: -1901.027
where: short stacking energy: -806.315
Base-Backbone interact. energy: -3.291
local terms energy: -795.946737
where:
bonds (distance) C4'-P energy: -148.412
bonds (distance) P-C4' energy: -135.835
flat angles C4'-P-C4' energy: -166.627
flat angles P-C4'-P energy: -110.946
tors. eta vs tors. theta energy: -234.127
Dist. restrs. and SS energy: 7.039 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -2612.059664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2612.059664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2615.839948 (E_RNA)
where:
Base-Base interactions energy: -1837.119
where: short stacking energy: -783.201
Base-Backbone interact. energy: -1.314
local terms energy: -777.407111
where:
bonds (distance) C4'-P energy: -131.177
bonds (distance) P-C4' energy: -156.369
flat angles C4'-P-C4' energy: -152.519
flat angles P-C4'-P energy: -105.441
tors. eta vs tors. theta energy: -231.901
Dist. restrs. and SS energy: 3.780 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -2510.173130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2510.173130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2517.969271 (E_RNA)
where:
Base-Base interactions energy: -1777.396
where: short stacking energy: -748.576
Base-Backbone interact. energy: -2.435
local terms energy: -738.137536
where:
bonds (distance) C4'-P energy: -130.034
bonds (distance) P-C4' energy: -132.462
flat angles C4'-P-C4' energy: -153.821
flat angles P-C4'-P energy: -102.690
tors. eta vs tors. theta energy: -219.131
Dist. restrs. and SS energy: 7.796 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -2463.854940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2463.854940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2469.189351 (E_RNA)
where:
Base-Base interactions energy: -1706.992
where: short stacking energy: -705.326
Base-Backbone interact. energy: -3.980
local terms energy: -758.216623
where:
bonds (distance) C4'-P energy: -146.295
bonds (distance) P-C4' energy: -129.825
flat angles C4'-P-C4' energy: -164.767
flat angles P-C4'-P energy: -104.477
tors. eta vs tors. theta energy: -212.854
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: 6, replica: 9
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -2355.585013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2355.585013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2363.483411 (E_RNA)
where:
Base-Base interactions energy: -1627.199
where: short stacking energy: -691.403
Base-Backbone interact. energy: -2.268
local terms energy: -734.017187
where:
bonds (distance) C4'-P energy: -138.592
bonds (distance) P-C4' energy: -126.769
flat angles C4'-P-C4' energy: -161.013
flat angles P-C4'-P energy: -94.849
tors. eta vs tors. theta energy: -212.793
Dist. restrs. and SS energy: 7.898 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -2267.506064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2267.506064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2277.266211 (E_RNA)
where:
Base-Base interactions energy: -1580.681
where: short stacking energy: -648.192
Base-Backbone interact. energy: -0.697
local terms energy: -695.888905
where:
bonds (distance) C4'-P energy: -125.215
bonds (distance) P-C4' energy: -112.328
flat angles C4'-P-C4' energy: -160.405
flat angles P-C4'-P energy: -97.818
tors. eta vs tors. theta energy: -200.123
Dist. restrs. and SS energy: 9.760 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -2274.079009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2274.079009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2283.991179 (E_RNA)
where:
Base-Base interactions energy: -1594.834
where: short stacking energy: -669.151
Base-Backbone interact. energy: -4.414
local terms energy: -684.743185
where:
bonds (distance) C4'-P energy: -129.218
bonds (distance) P-C4' energy: -129.901
flat angles C4'-P-C4' energy: -150.265
flat angles P-C4'-P energy: -79.510
tors. eta vs tors. theta energy: -195.849
Dist. restrs. and SS energy: 9.912 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -2079.313645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2079.313645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2099.649755 (E_RNA)
where:
Base-Base interactions energy: -1448.405
where: short stacking energy: -592.735
Base-Backbone interact. energy: -2.988
local terms energy: -648.257118
where:
bonds (distance) C4'-P energy: -125.978
bonds (distance) P-C4' energy: -122.215
flat angles C4'-P-C4' energy: -131.586
flat angles P-C4'-P energy: -86.360
tors. eta vs tors. theta energy: -182.117
Dist. restrs. and SS energy: 20.336 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -2011.953123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2011.953123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2024.328749 (E_RNA)
where:
Base-Base interactions energy: -1456.311
where: short stacking energy: -614.724
Base-Backbone interact. energy: -2.843
local terms energy: -565.175155
where:
bonds (distance) C4'-P energy: -103.127
bonds (distance) P-C4' energy: -111.080
flat angles C4'-P-C4' energy: -116.536
flat angles P-C4'-P energy: -67.728
tors. eta vs tors. theta energy: -166.703
Dist. restrs. and SS energy: 12.376 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -2786.690109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2786.690109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2788.925213 (E_RNA)
where:
Base-Base interactions energy: -1951.691
where: short stacking energy: -828.165
Base-Backbone interact. energy: -2.939
local terms energy: -834.295608
where:
bonds (distance) C4'-P energy: -138.810
bonds (distance) P-C4' energy: -148.829
flat angles C4'-P-C4' energy: -171.846
flat angles P-C4'-P energy: -119.886
tors. eta vs tors. theta energy: -254.925
Dist. restrs. and SS energy: 2.235 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -2703.652669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2703.652669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2710.383377 (E_RNA)
where:
Base-Base interactions energy: -1899.709
where: short stacking energy: -808.265
Base-Backbone interact. energy: 5.085
local terms energy: -815.758865
where:
bonds (distance) C4'-P energy: -147.159
bonds (distance) P-C4' energy: -148.484
flat angles C4'-P-C4' energy: -166.733
flat angles P-C4'-P energy: -112.835
tors. eta vs tors. theta energy: -240.549
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: 3, replica: 8
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -2633.277063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2633.277063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2637.001097 (E_RNA)
where:
Base-Base interactions energy: -1841.685
where: short stacking energy: -771.574
Base-Backbone interact. energy: -3.250
local terms energy: -792.066640
where:
bonds (distance) C4'-P energy: -134.563
bonds (distance) P-C4' energy: -145.123
flat angles C4'-P-C4' energy: -170.826
flat angles P-C4'-P energy: -108.419
tors. eta vs tors. theta energy: -233.135
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: 4, replica: 10
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -2536.915012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2536.915012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2542.060168 (E_RNA)
where:
Base-Base interactions energy: -1795.696
where: short stacking energy: -755.241
Base-Backbone interact. energy: -0.711
local terms energy: -745.653582
where:
bonds (distance) C4'-P energy: -130.649
bonds (distance) P-C4' energy: -117.141
flat angles C4'-P-C4' energy: -160.589
flat angles P-C4'-P energy: -120.506
tors. eta vs tors. theta energy: -216.768
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: 1
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -2470.842137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2470.842137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2473.549092 (E_RNA)
where:
Base-Base interactions energy: -1703.072
where: short stacking energy: -754.378
Base-Backbone interact. energy: -4.620
local terms energy: -765.857666
where:
bonds (distance) C4'-P energy: -135.113
bonds (distance) P-C4' energy: -123.254
flat angles C4'-P-C4' energy: -168.730
flat angles P-C4'-P energy: -114.209
tors. eta vs tors. theta energy: -224.551
Dist. restrs. and SS energy: 2.707 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -2332.976212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2332.976212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2342.207163 (E_RNA)
where:
Base-Base interactions energy: -1647.614
where: short stacking energy: -679.857
Base-Backbone interact. energy: -3.115
local terms energy: -691.478473
where:
bonds (distance) C4'-P energy: -117.948
bonds (distance) P-C4' energy: -127.281
flat angles C4'-P-C4' energy: -143.398
flat angles P-C4'-P energy: -105.578
tors. eta vs tors. theta energy: -197.273
Dist. restrs. and SS energy: 9.231 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -2292.491812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2292.491812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2303.467225 (E_RNA)
where:
Base-Base interactions energy: -1630.362
where: short stacking energy: -671.974
Base-Backbone interact. energy: -0.077
local terms energy: -673.028180
where:
bonds (distance) C4'-P energy: -112.562
bonds (distance) P-C4' energy: -122.515
flat angles C4'-P-C4' energy: -140.927
flat angles P-C4'-P energy: -97.971
tors. eta vs tors. theta energy: -199.053
Dist. restrs. and SS energy: 10.975 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -2240.246705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2240.246705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2260.096404 (E_RNA)
where:
Base-Base interactions energy: -1598.033
where: short stacking energy: -665.870
Base-Backbone interact. energy: -4.265
local terms energy: -657.798248
where:
bonds (distance) C4'-P energy: -122.412
bonds (distance) P-C4' energy: -125.263
flat angles C4'-P-C4' energy: -124.691
flat angles P-C4'-P energy: -81.335
tors. eta vs tors. theta energy: -204.098
Dist. restrs. and SS energy: 19.850 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -2094.225209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2094.225209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2111.890861 (E_RNA)
where:
Base-Base interactions energy: -1467.304
where: short stacking energy: -612.627
Base-Backbone interact. energy: 1.094
local terms energy: -645.680071
where:
bonds (distance) C4'-P energy: -119.891
bonds (distance) P-C4' energy: -84.658
flat angles C4'-P-C4' energy: -154.705
flat angles P-C4'-P energy: -93.534
tors. eta vs tors. theta energy: -192.891
Dist. restrs. and SS energy: 17.666 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -1993.742966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1993.742966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2012.988367 (E_RNA)
where:
Base-Base interactions energy: -1418.392
where: short stacking energy: -566.964
Base-Backbone interact. energy: -3.226
local terms energy: -591.370047
where:
bonds (distance) C4'-P energy: -119.966
bonds (distance) P-C4' energy: -105.282
flat angles C4'-P-C4' energy: -139.246
flat angles P-C4'-P energy: -78.056
tors. eta vs tors. theta energy: -148.820
Dist. restrs. and SS energy: 19.245 (S_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: 492
Temperature: 0.900000
Total energy: -2800.957058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2800.957058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2804.613389 (E_RNA)
where:
Base-Base interactions energy: -1943.977
where: short stacking energy: -837.744
Base-Backbone interact. energy: -2.300
local terms energy: -858.336247
where:
bonds (distance) C4'-P energy: -156.038
bonds (distance) P-C4' energy: -151.347
flat angles C4'-P-C4' energy: -172.211
flat angles P-C4'-P energy: -124.244
tors. eta vs tors. theta energy: -254.496
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: 2, replica: 5
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -2662.552622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2662.552622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2668.192606 (E_RNA)
where:
Base-Base interactions energy: -1871.937
where: short stacking energy: -770.853
Base-Backbone interact. energy: -0.640
local terms energy: -795.615496
where:
bonds (distance) C4'-P energy: -150.812
bonds (distance) P-C4' energy: -157.037
flat angles C4'-P-C4' energy: -167.156
flat angles P-C4'-P energy: -99.482
tors. eta vs tors. theta energy: -221.129
Dist. restrs. and SS energy: 5.640 (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: 492
Temperature: 1.000000
Total energy: -2626.864022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2626.864022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2630.947291 (E_RNA)
where:
Base-Base interactions energy: -1831.217
where: short stacking energy: -784.276
Base-Backbone interact. energy: -3.772
local terms energy: -795.957396
where:
bonds (distance) C4'-P energy: -144.936
bonds (distance) P-C4' energy: -140.225
flat angles C4'-P-C4' energy: -159.161
flat angles P-C4'-P energy: -109.926
tors. eta vs tors. theta energy: -241.709
Dist. restrs. and SS energy: 4.083 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -2517.281809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2517.281809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2528.629882 (E_RNA)
where:
Base-Base interactions energy: -1776.329
where: short stacking energy: -753.736
Base-Backbone interact. energy: -2.916
local terms energy: -749.383999
where:
bonds (distance) C4'-P energy: -146.261
bonds (distance) P-C4' energy: -127.156
flat angles C4'-P-C4' energy: -163.714
flat angles P-C4'-P energy: -85.502
tors. eta vs tors. theta energy: -226.751
Dist. restrs. and SS energy: 11.348 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -2504.808354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2504.808354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2508.510214 (E_RNA)
where:
Base-Base interactions energy: -1714.839
where: short stacking energy: -756.810
Base-Backbone interact. energy: -1.154
local terms energy: -792.517289
where:
bonds (distance) C4'-P energy: -114.921
bonds (distance) P-C4' energy: -154.343
flat angles C4'-P-C4' energy: -171.680
flat angles P-C4'-P energy: -119.756
tors. eta vs tors. theta energy: -231.817
Dist. restrs. and SS energy: 3.702 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -2352.565449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2352.565449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2358.818691 (E_RNA)
where:
Base-Base interactions energy: -1648.022
where: short stacking energy: -695.719
Base-Backbone interact. energy: -0.857
local terms energy: -709.939487
where:
bonds (distance) C4'-P energy: -126.022
bonds (distance) P-C4' energy: -116.699
flat angles C4'-P-C4' energy: -138.900
flat angles P-C4'-P energy: -109.945
tors. eta vs tors. theta energy: -218.374
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: 3
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -2322.401034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2322.401034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2332.096905 (E_RNA)
where:
Base-Base interactions energy: -1620.604
where: short stacking energy: -697.150
Base-Backbone interact. energy: -3.620
local terms energy: -707.872712
where:
bonds (distance) C4'-P energy: -142.252
bonds (distance) P-C4' energy: -132.374
flat angles C4'-P-C4' energy: -126.336
flat angles P-C4'-P energy: -94.471
tors. eta vs tors. theta energy: -212.439
Dist. restrs. and SS energy: 9.696 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -2222.839932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2222.839932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2231.536702 (E_RNA)
where:
Base-Base interactions energy: -1573.141
where: short stacking energy: -645.702
Base-Backbone interact. energy: 2.120
local terms energy: -660.515189
where:
bonds (distance) C4'-P energy: -126.737
bonds (distance) P-C4' energy: -129.410
flat angles C4'-P-C4' energy: -134.072
flat angles P-C4'-P energy: -94.688
tors. eta vs tors. theta energy: -175.608
Dist. restrs. and SS energy: 8.697 (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: 6
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -2066.666475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2066.666475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2084.675018 (E_RNA)
where:
Base-Base interactions energy: -1483.060
where: short stacking energy: -636.761
Base-Backbone interact. energy: -0.796
local terms energy: -600.819284
where:
bonds (distance) C4'-P energy: -90.612
bonds (distance) P-C4' energy: -109.471
flat angles C4'-P-C4' energy: -146.109
flat angles P-C4'-P energy: -72.755
tors. eta vs tors. theta energy: -181.873
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: 10, replica: 4
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -2038.942012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2038.942012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2067.151094 (E_RNA)
where:
Base-Base interactions energy: -1424.335
where: short stacking energy: -589.117
Base-Backbone interact. energy: -3.410
local terms energy: -639.405562
where:
bonds (distance) C4'-P energy: -109.006
bonds (distance) P-C4' energy: -124.559
flat angles C4'-P-C4' energy: -142.389
flat angles P-C4'-P energy: -79.666
tors. eta vs tors. theta energy: -183.786
Dist. restrs. and SS energy: 28.209 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -2784.391383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2784.391383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2788.715464 (E_RNA)
where:
Base-Base interactions energy: -1961.068
where: short stacking energy: -855.740
Base-Backbone interact. energy: -1.940
local terms energy: -825.707593
where:
bonds (distance) C4'-P energy: -134.254
bonds (distance) P-C4' energy: -136.568
flat angles C4'-P-C4' energy: -182.173
flat angles P-C4'-P energy: -117.138
tors. eta vs tors. theta energy: -255.575
Dist. restrs. and SS energy: 4.324 (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: 8
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -2705.100082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2705.100082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2708.433892 (E_RNA)
where:
Base-Base interactions energy: -1882.841
where: short stacking energy: -808.133
Base-Backbone interact. energy: 5.850
local terms energy: -831.442361
where:
bonds (distance) C4'-P energy: -157.531
bonds (distance) P-C4' energy: -141.824
flat angles C4'-P-C4' energy: -168.763
flat angles P-C4'-P energy: -116.781
tors. eta vs tors. theta energy: -246.543
Dist. restrs. and SS energy: 3.334 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -2605.269731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2605.269731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2612.125932 (E_RNA)
where:
Base-Base interactions energy: -1812.524
where: short stacking energy: -766.285
Base-Backbone interact. energy: -0.502
local terms energy: -799.099505
where:
bonds (distance) C4'-P energy: -143.110
bonds (distance) P-C4' energy: -137.128
flat angles C4'-P-C4' energy: -179.464
flat angles P-C4'-P energy: -118.379
tors. eta vs tors. theta energy: -221.019
Dist. restrs. and SS energy: 6.856 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -2535.874818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2535.874818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2543.470040 (E_RNA)
where:
Base-Base interactions energy: -1804.647
where: short stacking energy: -771.708
Base-Backbone interact. energy: 0.597
local terms energy: -739.419711
where:
bonds (distance) C4'-P energy: -120.297
bonds (distance) P-C4' energy: -126.510
flat angles C4'-P-C4' energy: -161.491
flat angles P-C4'-P energy: -106.800
tors. eta vs tors. theta energy: -224.322
Dist. restrs. and SS energy: 7.595 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -2474.439194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2474.439194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2481.209964 (E_RNA)
where:
Base-Base interactions energy: -1728.250
where: short stacking energy: -729.306
Base-Backbone interact. energy: -5.226
local terms energy: -747.734122
where:
bonds (distance) C4'-P energy: -127.894
bonds (distance) P-C4' energy: -127.678
flat angles C4'-P-C4' energy: -159.849
flat angles P-C4'-P energy: -119.520
tors. eta vs tors. theta energy: -212.793
Dist. restrs. and SS energy: 6.771 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -2333.457362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2333.457362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2346.465526 (E_RNA)
where:
Base-Base interactions energy: -1662.570
where: short stacking energy: -698.525
Base-Backbone interact. energy: 0.887
local terms energy: -684.782024
where:
bonds (distance) C4'-P energy: -113.080
bonds (distance) P-C4' energy: -119.528
flat angles C4'-P-C4' energy: -156.055
flat angles P-C4'-P energy: -94.697
tors. eta vs tors. theta energy: -201.422
Dist. restrs. and SS energy: 13.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -2317.514745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2317.514745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2326.477092 (E_RNA)
where:
Base-Base interactions energy: -1641.949
where: short stacking energy: -682.491
Base-Backbone interact. energy: 4.924
local terms energy: -689.451727
where:
bonds (distance) C4'-P energy: -118.798
bonds (distance) P-C4' energy: -124.548
flat angles C4'-P-C4' energy: -143.304
flat angles P-C4'-P energy: -94.824
tors. eta vs tors. theta energy: -207.977
Dist. restrs. and SS energy: 8.962 (S_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: 493
Temperature: 1.250000
Total energy: -2216.978812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2216.978812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2232.052464 (E_RNA)
where:
Base-Base interactions energy: -1591.659
where: short stacking energy: -654.756
Base-Backbone interact. energy: 0.121
local terms energy: -640.513814
where:
bonds (distance) C4'-P energy: -115.940
bonds (distance) P-C4' energy: -118.730
flat angles C4'-P-C4' energy: -140.097
flat angles P-C4'-P energy: -76.147
tors. eta vs tors. theta energy: -189.600
Dist. restrs. and SS energy: 15.074 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -2050.836881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2050.836881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2064.858216 (E_RNA)
where:
Base-Base interactions energy: -1431.807
where: short stacking energy: -609.765
Base-Backbone interact. energy: 2.144
local terms energy: -635.195810
where:
bonds (distance) C4'-P energy: -123.844
bonds (distance) P-C4' energy: -113.789
flat angles C4'-P-C4' energy: -130.812
flat angles P-C4'-P energy: -94.328
tors. eta vs tors. theta energy: -172.423
Dist. restrs. and SS energy: 14.021 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -2014.687969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2014.687969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.640782 (E_RNA)
where:
Base-Base interactions energy: -1411.072
where: short stacking energy: -565.841
Base-Backbone interact. energy: -1.978
local terms energy: -620.590476
where:
bonds (distance) C4'-P energy: -97.841
bonds (distance) P-C4' energy: -129.104
flat angles C4'-P-C4' energy: -141.948
flat angles P-C4'-P energy: -80.637
tors. eta vs tors. theta energy: -171.061
Dist. restrs. and SS energy: 18.953 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -2792.411003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2792.411003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2797.059811 (E_RNA)
where:
Base-Base interactions energy: -1969.249
where: short stacking energy: -858.541
Base-Backbone interact. energy: -2.260
local terms energy: -825.550341
where:
bonds (distance) C4'-P energy: -127.015
bonds (distance) P-C4' energy: -150.403
flat angles C4'-P-C4' energy: -173.149
flat angles P-C4'-P energy: -122.979
tors. eta vs tors. theta energy: -252.004
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: 2, replica: 8
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -2666.871569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2666.871569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2671.086589 (E_RNA)
where:
Base-Base interactions energy: -1889.736
where: short stacking energy: -826.633
Base-Backbone interact. energy: -0.322
local terms energy: -781.028545
where:
bonds (distance) C4'-P energy: -126.030
bonds (distance) P-C4' energy: -118.702
flat angles C4'-P-C4' energy: -175.481
flat angles P-C4'-P energy: -120.566
tors. eta vs tors. theta energy: -240.249
Dist. restrs. and SS energy: 4.215 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -2650.004855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2650.004855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2656.929983 (E_RNA)
where:
Base-Base interactions energy: -1868.453
where: short stacking energy: -781.831
Base-Backbone interact. energy: 1.513
local terms energy: -789.989865
where:
bonds (distance) C4'-P energy: -126.237
bonds (distance) P-C4' energy: -146.758
flat angles C4'-P-C4' energy: -175.202
flat angles P-C4'-P energy: -106.927
tors. eta vs tors. theta energy: -234.866
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: 4, replica: 10
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -2513.937056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2513.937056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2520.057014 (E_RNA)
where:
Base-Base interactions energy: -1754.422
where: short stacking energy: -722.753
Base-Backbone interact. energy: -1.226
local terms energy: -764.409601
where:
bonds (distance) C4'-P energy: -138.836
bonds (distance) P-C4' energy: -132.614
flat angles C4'-P-C4' energy: -170.386
flat angles P-C4'-P energy: -102.204
tors. eta vs tors. theta energy: -220.369
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: 5, replica: 1
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -2494.241335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2494.241335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2499.852131 (E_RNA)
where:
Base-Base interactions energy: -1763.822
where: short stacking energy: -749.531
Base-Backbone interact. energy: -7.800
local terms energy: -728.230167
where:
bonds (distance) C4'-P energy: -130.393
bonds (distance) P-C4' energy: -125.040
flat angles C4'-P-C4' energy: -158.755
flat angles P-C4'-P energy: -101.697
tors. eta vs tors. theta energy: -212.345
Dist. restrs. and SS energy: 5.611 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -2350.227466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2350.227466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2356.214677 (E_RNA)
where:
Base-Base interactions energy: -1663.911
where: short stacking energy: -686.731
Base-Backbone interact. energy: 0.467
local terms energy: -692.771272
where:
bonds (distance) C4'-P energy: -123.284
bonds (distance) P-C4' energy: -116.985
flat angles C4'-P-C4' energy: -160.947
flat angles P-C4'-P energy: -86.329
tors. eta vs tors. theta energy: -205.226
Dist. restrs. and SS energy: 5.987 (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: 9
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -2254.405095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2254.405095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2262.425325 (E_RNA)
where:
Base-Base interactions energy: -1575.456
where: short stacking energy: -682.256
Base-Backbone interact. energy: -1.006
local terms energy: -685.964236
where:
bonds (distance) C4'-P energy: -131.082
bonds (distance) P-C4' energy: -120.950
flat angles C4'-P-C4' energy: -138.706
flat angles P-C4'-P energy: -101.216
tors. eta vs tors. theta energy: -194.010
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: 8, replica: 7
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -2194.952036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2194.952036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2202.828869 (E_RNA)
where:
Base-Base interactions energy: -1550.845
where: short stacking energy: -652.319
Base-Backbone interact. energy: -3.409
local terms energy: -648.574741
where:
bonds (distance) C4'-P energy: -128.769
bonds (distance) P-C4' energy: -117.108
flat angles C4'-P-C4' energy: -140.576
flat angles P-C4'-P energy: -78.463
tors. eta vs tors. theta energy: -183.659
Dist. restrs. and SS energy: 7.877 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -2096.816808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2096.816808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2110.173753 (E_RNA)
where:
Base-Base interactions energy: -1467.981
where: short stacking energy: -620.252
Base-Backbone interact. energy: -3.193
local terms energy: -639.000203
where:
bonds (distance) C4'-P energy: -121.724
bonds (distance) P-C4' energy: -114.089
flat angles C4'-P-C4' energy: -145.063
flat angles P-C4'-P energy: -92.041
tors. eta vs tors. theta energy: -166.083
Dist. restrs. and SS energy: 13.357 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -1968.596898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1968.596898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1987.861766 (E_RNA)
where:
Base-Base interactions energy: -1367.766
where: short stacking energy: -572.567
Base-Backbone interact. energy: 0.511
local terms energy: -620.606639
where:
bonds (distance) C4'-P energy: -106.045
bonds (distance) P-C4' energy: -129.050
flat angles C4'-P-C4' energy: -124.943
flat angles P-C4'-P energy: -87.824
tors. eta vs tors. theta energy: -172.745
Dist. restrs. and SS energy: 19.265 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -2779.630114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2779.630114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2783.195159 (E_RNA)
where:
Base-Base interactions energy: -1936.630
where: short stacking energy: -835.027
Base-Backbone interact. energy: -2.560
local terms energy: -844.005422
where:
bonds (distance) C4'-P energy: -125.675
bonds (distance) P-C4' energy: -158.638
flat angles C4'-P-C4' energy: -174.109
flat angles P-C4'-P energy: -135.287
tors. eta vs tors. theta energy: -250.297
Dist. restrs. and SS energy: 3.565 (S_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: 495
Temperature: 0.950000
Total energy: -2691.430498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2691.430498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2696.669497 (E_RNA)
where:
Base-Base interactions energy: -1869.684
where: short stacking energy: -794.690
Base-Backbone interact. energy: -6.001
local terms energy: -820.985095
where:
bonds (distance) C4'-P energy: -146.585
bonds (distance) P-C4' energy: -147.972
flat angles C4'-P-C4' energy: -177.807
flat angles P-C4'-P energy: -108.081
tors. eta vs tors. theta energy: -240.541
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: 3, replica: 8
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -2638.028239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2638.028239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2642.027588 (E_RNA)
where:
Base-Base interactions energy: -1878.482
where: short stacking energy: -793.042
Base-Backbone interact. energy: -4.137
local terms energy: -759.408377
where:
bonds (distance) C4'-P energy: -138.794
bonds (distance) P-C4' energy: -108.384
flat angles C4'-P-C4' energy: -165.902
flat angles P-C4'-P energy: -108.257
tors. eta vs tors. theta energy: -238.072
Dist. restrs. and SS energy: 3.999 (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: 1
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -2570.344623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2570.344623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2575.399815 (E_RNA)
where:
Base-Base interactions energy: -1802.689
where: short stacking energy: -786.995
Base-Backbone interact. energy: -1.777
local terms energy: -770.934048
where:
bonds (distance) C4'-P energy: -136.236
bonds (distance) P-C4' energy: -132.749
flat angles C4'-P-C4' energy: -154.826
flat angles P-C4'-P energy: -120.940
tors. eta vs tors. theta energy: -226.183
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: 5, replica: 10
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -2442.778032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2442.778032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2448.689711 (E_RNA)
where:
Base-Base interactions energy: -1673.782
where: short stacking energy: -707.656
Base-Backbone interact. energy: 2.861
local terms energy: -777.768175
where:
bonds (distance) C4'-P energy: -135.205
bonds (distance) P-C4' energy: -137.031
flat angles C4'-P-C4' energy: -161.074
flat angles P-C4'-P energy: -115.606
tors. eta vs tors. theta energy: -228.852
Dist. restrs. and SS energy: 5.912 (S_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: 495
Temperature: 1.150000
Total energy: -2403.356479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2403.356479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2410.206456 (E_RNA)
where:
Base-Base interactions energy: -1675.332
where: short stacking energy: -709.379
Base-Backbone interact. energy: 5.840
local terms energy: -740.714068
where:
bonds (distance) C4'-P energy: -141.585
bonds (distance) P-C4' energy: -118.870
flat angles C4'-P-C4' energy: -159.833
flat angles P-C4'-P energy: -94.742
tors. eta vs tors. theta energy: -225.684
Dist. restrs. and SS energy: 6.850 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -2262.942455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2262.942455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2271.840766 (E_RNA)
where:
Base-Base interactions energy: -1600.625
where: short stacking energy: -657.781
Base-Backbone interact. energy: -2.114
local terms energy: -669.101786
where:
bonds (distance) C4'-P energy: -131.539
bonds (distance) P-C4' energy: -112.612
flat angles C4'-P-C4' energy: -148.392
flat angles P-C4'-P energy: -91.368
tors. eta vs tors. theta energy: -185.191
Dist. restrs. and SS energy: 8.898 (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: 7
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -2188.304587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2188.304587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2194.059766 (E_RNA)
where:
Base-Base interactions energy: -1564.957
where: short stacking energy: -649.174
Base-Backbone interact. energy: -0.240
local terms energy: -628.863343
where:
bonds (distance) C4'-P energy: -100.681
bonds (distance) P-C4' energy: -98.953
flat angles C4'-P-C4' energy: -143.044
flat angles P-C4'-P energy: -94.268
tors. eta vs tors. theta energy: -191.918
Dist. restrs. and SS energy: 5.755 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -2104.271268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2104.271268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2120.658606 (E_RNA)
where:
Base-Base interactions energy: -1490.035
where: short stacking energy: -636.451
Base-Backbone interact. energy: 2.796
local terms energy: -633.419065
where:
bonds (distance) C4'-P energy: -108.800
bonds (distance) P-C4' energy: -110.504
flat angles C4'-P-C4' energy: -138.431
flat angles P-C4'-P energy: -99.086
tors. eta vs tors. theta energy: -176.599
Dist. restrs. and SS energy: 16.387 (S_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: 495
Temperature: 1.350000
Total energy: -1981.592939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1981.592939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.006814 (E_RNA)
where:
Base-Base interactions energy: -1388.144
where: short stacking energy: -590.500
Base-Backbone interact. energy: -3.028
local terms energy: -617.834393
where:
bonds (distance) C4'-P energy: -95.820
bonds (distance) P-C4' energy: -113.961
flat angles C4'-P-C4' energy: -146.689
flat angles P-C4'-P energy: -88.945
tors. eta vs tors. theta energy: -172.420
Dist. restrs. and SS energy: 27.414 (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: 2
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -2794.448188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2794.448188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2796.642587 (E_RNA)
where:
Base-Base interactions energy: -1950.414
where: short stacking energy: -849.457
Base-Backbone interact. energy: -4.868
local terms energy: -841.360724
where:
bonds (distance) C4'-P energy: -149.232
bonds (distance) P-C4' energy: -146.440
flat angles C4'-P-C4' energy: -174.474
flat angles P-C4'-P energy: -120.530
tors. eta vs tors. theta energy: -250.685
Dist. restrs. and SS energy: 2.194 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -2693.593932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2693.593932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2699.570765 (E_RNA)
where:
Base-Base interactions energy: -1870.839
where: short stacking energy: -813.635
Base-Backbone interact. energy: -0.776
local terms energy: -827.955951
where:
bonds (distance) C4'-P energy: -148.362
bonds (distance) P-C4' energy: -148.901
flat angles C4'-P-C4' energy: -169.223
flat angles P-C4'-P energy: -116.985
tors. eta vs tors. theta energy: -244.485
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: 3, replica: 8
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -2600.425002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2600.425002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2603.930118 (E_RNA)
where:
Base-Base interactions energy: -1842.023
where: short stacking energy: -801.269
Base-Backbone interact. energy: -3.650
local terms energy: -758.256751
where:
bonds (distance) C4'-P energy: -119.900
bonds (distance) P-C4' energy: -138.698
flat angles C4'-P-C4' energy: -155.575
flat angles P-C4'-P energy: -105.056
tors. eta vs tors. theta energy: -239.028
Dist. restrs. and SS energy: 3.505 (S_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: -2574.435967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2574.435967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2577.329171 (E_RNA)
where:
Base-Base interactions energy: -1807.335
where: short stacking energy: -743.945
Base-Backbone interact. energy: -3.559
local terms energy: -766.435003
where:
bonds (distance) C4'-P energy: -131.953
bonds (distance) P-C4' energy: -141.807
flat angles C4'-P-C4' energy: -159.719
flat angles P-C4'-P energy: -102.666
tors. eta vs tors. theta energy: -230.290
Dist. restrs. and SS energy: 2.893 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -2476.596719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2476.596719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2485.124053 (E_RNA)
where:
Base-Base interactions energy: -1720.274
where: short stacking energy: -748.249
Base-Backbone interact. energy: -0.378
local terms energy: -764.471992
where:
bonds (distance) C4'-P energy: -132.238
bonds (distance) P-C4' energy: -128.603
flat angles C4'-P-C4' energy: -159.331
flat angles P-C4'-P energy: -111.673
tors. eta vs tors. theta energy: -232.627
Dist. restrs. and SS energy: 8.527 (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: 3
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -2380.100808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2380.100808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2387.447531 (E_RNA)
where:
Base-Base interactions energy: -1680.542
where: short stacking energy: -720.757
Base-Backbone interact. energy: -3.390
local terms energy: -703.515306
where:
bonds (distance) C4'-P energy: -130.316
bonds (distance) P-C4' energy: -114.028
flat angles C4'-P-C4' energy: -152.492
flat angles P-C4'-P energy: -95.353
tors. eta vs tors. theta energy: -211.326
Dist. restrs. and SS energy: 7.347 (S_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: -2266.857079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2266.857079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2280.422543 (E_RNA)
where:
Base-Base interactions energy: -1586.649
where: short stacking energy: -667.506
Base-Backbone interact. energy: -1.244
local terms energy: -692.529354
where:
bonds (distance) C4'-P energy: -111.445
bonds (distance) P-C4' energy: -136.026
flat angles C4'-P-C4' energy: -142.571
flat angles P-C4'-P energy: -107.427
tors. eta vs tors. theta energy: -195.060
Dist. restrs. and SS energy: 13.565 (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: 7
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -2190.202289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2190.202289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2198.042009 (E_RNA)
where:
Base-Base interactions energy: -1558.215
where: short stacking energy: -632.579
Base-Backbone interact. energy: -0.434
local terms energy: -639.393425
where:
bonds (distance) C4'-P energy: -123.926
bonds (distance) P-C4' energy: -108.458
flat angles C4'-P-C4' energy: -135.739
flat angles P-C4'-P energy: -91.459
tors. eta vs tors. theta energy: -179.811
Dist. restrs. and SS energy: 7.840 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -2091.058095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2091.058095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.657581 (E_RNA)
where:
Base-Base interactions energy: -1479.596
where: short stacking energy: -606.481
Base-Backbone interact. energy: -2.986
local terms energy: -624.075178
where:
bonds (distance) C4'-P energy: -129.592
bonds (distance) P-C4' energy: -109.749
flat angles C4'-P-C4' energy: -132.910
flat angles P-C4'-P energy: -78.988
tors. eta vs tors. theta energy: -172.836
Dist. restrs. and SS energy: 15.599 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -1948.814674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1948.814674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1969.348270 (E_RNA)
where:
Base-Base interactions energy: -1375.258
where: short stacking energy: -574.952
Base-Backbone interact. energy: -1.872
local terms energy: -592.218807
where:
bonds (distance) C4'-P energy: -125.455
bonds (distance) P-C4' energy: -105.237
flat angles C4'-P-C4' energy: -124.313
flat angles P-C4'-P energy: -69.983
tors. eta vs tors. theta energy: -167.231
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: 1, replica: 2
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -2799.239919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2799.239919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2803.431402 (E_RNA)
where:
Base-Base interactions energy: -1951.281
where: short stacking energy: -836.693
Base-Backbone interact. energy: -2.634
local terms energy: -849.515878
where:
bonds (distance) C4'-P energy: -132.553
bonds (distance) P-C4' energy: -146.425
flat angles C4'-P-C4' energy: -187.240
flat angles P-C4'-P energy: -125.251
tors. eta vs tors. theta energy: -258.047
Dist. restrs. and SS energy: 4.191 (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: 5
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -2711.512316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2711.512316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2717.318449 (E_RNA)
where:
Base-Base interactions energy: -1884.392
where: short stacking energy: -805.458
Base-Backbone interact. energy: -2.876
local terms energy: -830.050281
where:
bonds (distance) C4'-P energy: -153.442
bonds (distance) P-C4' energy: -141.559
flat angles C4'-P-C4' energy: -170.189
flat angles P-C4'-P energy: -119.311
tors. eta vs tors. theta energy: -245.550
Dist. restrs. and SS energy: 5.806 (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: 8
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -2614.264217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2614.264217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2619.096902 (E_RNA)
where:
Base-Base interactions energy: -1831.416
where: short stacking energy: -761.287
Base-Backbone interact. energy: -4.395
local terms energy: -783.286410
where:
bonds (distance) C4'-P energy: -137.356
bonds (distance) P-C4' energy: -134.346
flat angles C4'-P-C4' energy: -159.764
flat angles P-C4'-P energy: -115.611
tors. eta vs tors. theta energy: -236.210
Dist. restrs. and SS energy: 4.833 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -2566.513357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2566.513357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2570.318825 (E_RNA)
where:
Base-Base interactions energy: -1814.638
where: short stacking energy: -773.375
Base-Backbone interact. energy: -3.981
local terms energy: -751.699760
where:
bonds (distance) C4'-P energy: -106.016
bonds (distance) P-C4' energy: -146.063
flat angles C4'-P-C4' energy: -152.379
flat angles P-C4'-P energy: -112.517
tors. eta vs tors. theta energy: -234.725
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: 5, replica: 10
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -2445.641449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2445.641449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2457.744884 (E_RNA)
where:
Base-Base interactions energy: -1736.214
where: short stacking energy: -744.038
Base-Backbone interact. energy: -3.881
local terms energy: -717.650103
where:
bonds (distance) C4'-P energy: -136.077
bonds (distance) P-C4' energy: -109.518
flat angles C4'-P-C4' energy: -148.906
flat angles P-C4'-P energy: -101.281
tors. eta vs tors. theta energy: -221.867
Dist. restrs. and SS energy: 12.103 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -2360.270861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2360.270861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2371.498806 (E_RNA)
where:
Base-Base interactions energy: -1662.574
where: short stacking energy: -694.377
Base-Backbone interact. energy: 4.009
local terms energy: -712.933157
where:
bonds (distance) C4'-P energy: -122.828
bonds (distance) P-C4' energy: -131.894
flat angles C4'-P-C4' energy: -142.733
flat angles P-C4'-P energy: -99.255
tors. eta vs tors. theta energy: -216.223
Dist. restrs. and SS energy: 11.228 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -2285.237208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2285.237208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2294.802983 (E_RNA)
where:
Base-Base interactions energy: -1609.791
where: short stacking energy: -673.651
Base-Backbone interact. energy: 0.090
local terms energy: -685.101274
where:
bonds (distance) C4'-P energy: -135.254
bonds (distance) P-C4' energy: -112.508
flat angles C4'-P-C4' energy: -146.629
flat angles P-C4'-P energy: -102.111
tors. eta vs tors. theta energy: -188.599
Dist. restrs. and SS energy: 9.566 (S_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: 497
Temperature: 1.250000
Total energy: -2226.679583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2226.679583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2236.939402 (E_RNA)
where:
Base-Base interactions energy: -1563.266
where: short stacking energy: -674.991
Base-Backbone interact. energy: -2.778
local terms energy: -670.896051
where:
bonds (distance) C4'-P energy: -119.767
bonds (distance) P-C4' energy: -123.940
flat angles C4'-P-C4' energy: -138.715
flat angles P-C4'-P energy: -97.231
tors. eta vs tors. theta energy: -191.243
Dist. restrs. and SS energy: 10.260 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -2098.239275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2098.239275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2117.302852 (E_RNA)
where:
Base-Base interactions energy: -1488.704
where: short stacking energy: -634.003
Base-Backbone interact. energy: -2.350
local terms energy: -626.248530
where:
bonds (distance) C4'-P energy: -116.699
bonds (distance) P-C4' energy: -110.174
flat angles C4'-P-C4' energy: -132.293
flat angles P-C4'-P energy: -93.575
tors. eta vs tors. theta energy: -173.507
Dist. restrs. and SS energy: 19.064 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -1944.410116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1944.410116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1969.157428 (E_RNA)
where:
Base-Base interactions energy: -1395.486
where: short stacking energy: -560.019
Base-Backbone interact. energy: -0.383
local terms energy: -573.288787
where:
bonds (distance) C4'-P energy: -107.026
bonds (distance) P-C4' energy: -121.836
flat angles C4'-P-C4' energy: -128.394
flat angles P-C4'-P energy: -55.037
tors. eta vs tors. theta energy: -160.996
Dist. restrs. and SS energy: 24.747 (S_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: 498
Temperature: 0.900000
Total energy: -2780.384126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2780.384126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2781.835047 (E_RNA)
where:
Base-Base interactions energy: -1958.273
where: short stacking energy: -810.812
Base-Backbone interact. energy: -3.292
local terms energy: -820.270548
where:
bonds (distance) C4'-P energy: -147.670
bonds (distance) P-C4' energy: -142.868
flat angles C4'-P-C4' energy: -180.342
flat angles P-C4'-P energy: -108.826
tors. eta vs tors. theta energy: -240.564
Dist. restrs. and SS energy: 1.451 (S_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: 498
Temperature: 0.950000
Total energy: -2664.037513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2664.037513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2669.075906 (E_RNA)
where:
Base-Base interactions energy: -1848.394
where: short stacking energy: -797.471
Base-Backbone interact. energy: -2.397
local terms energy: -818.285042
where:
bonds (distance) C4'-P energy: -137.030
bonds (distance) P-C4' energy: -151.804
flat angles C4'-P-C4' energy: -168.447
flat angles P-C4'-P energy: -124.002
tors. eta vs tors. theta energy: -237.003
Dist. restrs. and SS energy: 5.038 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -2634.941606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2634.941606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2640.584454 (E_RNA)
where:
Base-Base interactions energy: -1860.249
where: short stacking energy: -792.337
Base-Backbone interact. energy: -0.128
local terms energy: -780.207230
where:
bonds (distance) C4'-P energy: -133.814
bonds (distance) P-C4' energy: -144.878
flat angles C4'-P-C4' energy: -156.412
flat angles P-C4'-P energy: -109.857
tors. eta vs tors. theta energy: -235.245
Dist. restrs. and SS energy: 5.643 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -2536.125052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2536.125052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2538.185799 (E_RNA)
where:
Base-Base interactions energy: -1781.319
where: short stacking energy: -762.596
Base-Backbone interact. energy: -1.166
local terms energy: -755.699896
where:
bonds (distance) C4'-P energy: -133.855
bonds (distance) P-C4' energy: -125.908
flat angles C4'-P-C4' energy: -165.017
flat angles P-C4'-P energy: -119.100
tors. eta vs tors. theta energy: -211.820
Dist. restrs. and SS energy: 2.061 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -2417.017851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2417.017851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2427.957913 (E_RNA)
where:
Base-Base interactions energy: -1702.053
where: short stacking energy: -711.562
Base-Backbone interact. energy: -0.806
local terms energy: -725.099236
where:
bonds (distance) C4'-P energy: -136.147
bonds (distance) P-C4' energy: -121.118
flat angles C4'-P-C4' energy: -152.240
flat angles P-C4'-P energy: -96.583
tors. eta vs tors. theta energy: -219.011
Dist. restrs. and SS energy: 10.940 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -2356.224391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2356.224391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2365.915351 (E_RNA)
where:
Base-Base interactions energy: -1659.905
where: short stacking energy: -716.298
Base-Backbone interact. energy: -1.486
local terms energy: -704.523747
where:
bonds (distance) C4'-P energy: -138.569
bonds (distance) P-C4' energy: -123.932
flat angles C4'-P-C4' energy: -134.635
flat angles P-C4'-P energy: -94.118
tors. eta vs tors. theta energy: -213.270
Dist. restrs. and SS energy: 9.691 (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: 9
=====================================
Write number: 498
Temperature: 1.200000
Total energy: -2278.905559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2278.905559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2292.018501 (E_RNA)
where:
Base-Base interactions energy: -1627.436
where: short stacking energy: -675.425
Base-Backbone interact. energy: -3.912
local terms energy: -660.671195
where:
bonds (distance) C4'-P energy: -115.506
bonds (distance) P-C4' energy: -98.966
flat angles C4'-P-C4' energy: -159.114
flat angles P-C4'-P energy: -91.302
tors. eta vs tors. theta energy: -195.784
Dist. restrs. and SS energy: 13.113 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -2271.721043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2271.721043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2281.565648 (E_RNA)
where:
Base-Base interactions energy: -1583.900
where: short stacking energy: -667.430
Base-Backbone interact. energy: 3.316
local terms energy: -700.981772
where:
bonds (distance) C4'-P energy: -116.704
bonds (distance) P-C4' energy: -122.680
flat angles C4'-P-C4' energy: -161.556
flat angles P-C4'-P energy: -98.990
tors. eta vs tors. theta energy: -201.052
Dist. restrs. and SS energy: 9.845 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -2107.108370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2107.108370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2118.477990 (E_RNA)
where:
Base-Base interactions energy: -1470.812
where: short stacking energy: -604.575
Base-Backbone interact. energy: -0.274
local terms energy: -647.392058
where:
bonds (distance) C4'-P energy: -118.018
bonds (distance) P-C4' energy: -115.527
flat angles C4'-P-C4' energy: -139.515
flat angles P-C4'-P energy: -81.100
tors. eta vs tors. theta energy: -193.233
Dist. restrs. and SS energy: 11.370 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -1876.574429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.574429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.915717 (E_RNA)
where:
Base-Base interactions energy: -1306.443
where: short stacking energy: -568.312
Base-Backbone interact. energy: 5.661
local terms energy: -606.133417
where:
bonds (distance) C4'-P energy: -115.330
bonds (distance) P-C4' energy: -123.353
flat angles C4'-P-C4' energy: -137.645
flat angles P-C4'-P energy: -71.375
tors. eta vs tors. theta energy: -158.431
Dist. restrs. and SS energy: 30.341 (S_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: 499
Temperature: 0.900000
Total energy: -2785.223764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2785.223764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2788.931872 (E_RNA)
where:
Base-Base interactions energy: -1970.265
where: short stacking energy: -842.379
Base-Backbone interact. energy: -4.237
local terms energy: -814.430583
where:
bonds (distance) C4'-P energy: -147.405
bonds (distance) P-C4' energy: -130.409
flat angles C4'-P-C4' energy: -170.328
flat angles P-C4'-P energy: -110.799
tors. eta vs tors. theta energy: -255.489
Dist. restrs. and SS energy: 3.708 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 499
Temperature: 0.950000
Total energy: -2650.428267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2650.428267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2654.073916 (E_RNA)
where:
Base-Base interactions energy: -1877.967
where: short stacking energy: -786.779
Base-Backbone interact. energy: -3.184
local terms energy: -772.922541
where:
bonds (distance) C4'-P energy: -122.568
bonds (distance) P-C4' energy: -145.582
flat angles C4'-P-C4' energy: -166.848
flat angles P-C4'-P energy: -102.392
tors. eta vs tors. theta energy: -235.532
Dist. restrs. and SS energy: 3.646 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 499
Temperature: 1.000000
Total energy: -2634.802968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2634.802968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2641.024269 (E_RNA)
where:
Base-Base interactions energy: -1852.906
where: short stacking energy: -778.163
Base-Backbone interact. energy: -4.362
local terms energy: -783.756302
where:
bonds (distance) C4'-P energy: -146.555
bonds (distance) P-C4' energy: -142.307
flat angles C4'-P-C4' energy: -159.260
flat angles P-C4'-P energy: -108.832
tors. eta vs tors. theta energy: -226.802
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: 1
=====================================
Write number: 499
Temperature: 1.050000
Total energy: -2540.213041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2540.213041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2546.375761 (E_RNA)
where:
Base-Base interactions energy: -1784.604
where: short stacking energy: -769.152
Base-Backbone interact. energy: -3.579
local terms energy: -758.192389
where:
bonds (distance) C4'-P energy: -130.868
bonds (distance) P-C4' energy: -129.145
flat angles C4'-P-C4' energy: -161.799
flat angles P-C4'-P energy: -115.476
tors. eta vs tors. theta energy: -220.905
Dist. restrs. and SS energy: 6.163 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -2431.310212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2431.310212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2439.407662 (E_RNA)
where:
Base-Base interactions energy: -1710.830
where: short stacking energy: -742.958
Base-Backbone interact. energy: -2.007
local terms energy: -726.571452
where:
bonds (distance) C4'-P energy: -115.559
bonds (distance) P-C4' energy: -129.316
flat angles C4'-P-C4' energy: -158.292
flat angles P-C4'-P energy: -108.816
tors. eta vs tors. theta energy: -214.588
Dist. restrs. and SS energy: 8.097 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 499
Temperature: 1.150000
Total energy: -2377.313255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2377.313255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2391.887674 (E_RNA)
where:
Base-Base interactions energy: -1664.942
where: short stacking energy: -718.643
Base-Backbone interact. energy: -3.073
local terms energy: -723.872804
where:
bonds (distance) C4'-P energy: -119.235
bonds (distance) P-C4' energy: -133.847
flat angles C4'-P-C4' energy: -155.106
flat angles P-C4'-P energy: -98.520
tors. eta vs tors. theta energy: -217.165
Dist. restrs. and SS energy: 14.574 (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: 9
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -2295.584155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2295.584155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2307.320713 (E_RNA)
where:
Base-Base interactions energy: -1658.796
where: short stacking energy: -674.074
Base-Backbone interact. energy: 0.900
local terms energy: -649.424992
where:
bonds (distance) C4'-P energy: -114.435
bonds (distance) P-C4' energy: -111.003
flat angles C4'-P-C4' energy: -144.413
flat angles P-C4'-P energy: -85.215
tors. eta vs tors. theta energy: -194.358
Dist. restrs. and SS energy: 11.737 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -2254.122506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2254.122506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2260.012458 (E_RNA)
where:
Base-Base interactions energy: -1567.811
where: short stacking energy: -629.901
Base-Backbone interact. energy: 2.239
local terms energy: -694.440775
where:
bonds (distance) C4'-P energy: -119.261
bonds (distance) P-C4' energy: -139.295
flat angles C4'-P-C4' energy: -141.623
flat angles P-C4'-P energy: -98.129
tors. eta vs tors. theta energy: -196.133
Dist. restrs. and SS energy: 5.890 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -2055.465723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2055.465723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2070.692849 (E_RNA)
where:
Base-Base interactions energy: -1444.573
where: short stacking energy: -600.288
Base-Backbone interact. energy: -3.403
local terms energy: -622.716877
where:
bonds (distance) C4'-P energy: -127.819
bonds (distance) P-C4' energy: -103.476
flat angles C4'-P-C4' energy: -118.407
flat angles P-C4'-P energy: -94.016
tors. eta vs tors. theta energy: -178.998
Dist. restrs. and SS energy: 15.227 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 499
Temperature: 1.350000
Total energy: -1936.848503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1936.848503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1948.657724 (E_RNA)
where:
Base-Base interactions energy: -1383.991
where: short stacking energy: -571.898
Base-Backbone interact. energy: 3.456
local terms energy: -568.123282
where:
bonds (distance) C4'-P energy: -95.662
bonds (distance) P-C4' energy: -118.345
flat angles C4'-P-C4' energy: -116.207
flat angles P-C4'-P energy: -88.061
tors. eta vs tors. theta energy: -149.847
Dist. restrs. and SS energy: 11.809 (S_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: 500
Temperature: 0.900000
Total energy: -2821.610258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2821.610258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2826.445131 (E_RNA)
where:
Base-Base interactions energy: -1966.343
where: short stacking energy: -825.311
Base-Backbone interact. energy: -3.073
local terms energy: -857.028815
where:
bonds (distance) C4'-P energy: -161.797
bonds (distance) P-C4' energy: -145.178
flat angles C4'-P-C4' energy: -173.886
flat angles P-C4'-P energy: -117.444
tors. eta vs tors. theta energy: -258.725
Dist. restrs. and SS energy: 4.835 (S_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: -2645.896111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2645.896111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2649.766230 (E_RNA)
where:
Base-Base interactions energy: -1847.782
where: short stacking energy: -794.742
Base-Backbone interact. energy: -2.077
local terms energy: -799.907889
where:
bonds (distance) C4'-P energy: -133.557
bonds (distance) P-C4' energy: -152.016
flat angles C4'-P-C4' energy: -164.275
flat angles P-C4'-P energy: -110.389
tors. eta vs tors. theta energy: -239.672
Dist. restrs. and SS energy: 3.870 (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: 5
=====================================
Write number: 500
Temperature: 1.000000
Total energy: -2628.530323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2628.530323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2635.049890 (E_RNA)
where:
Base-Base interactions energy: -1837.833
where: short stacking energy: -770.006
Base-Backbone interact. energy: -0.846
local terms energy: -796.370129
where:
bonds (distance) C4'-P energy: -128.246
bonds (distance) P-C4' energy: -156.557
flat angles C4'-P-C4' energy: -168.574
flat angles P-C4'-P energy: -110.090
tors. eta vs tors. theta energy: -232.903
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: 1
=====================================
Write number: 500
Temperature: 1.050000
Total energy: -2531.444935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2531.444935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2537.270403 (E_RNA)
where:
Base-Base interactions energy: -1760.451
where: short stacking energy: -703.086
Base-Backbone interact. energy: -1.110
local terms energy: -775.708799
where:
bonds (distance) C4'-P energy: -140.290
bonds (distance) P-C4' energy: -150.002
flat angles C4'-P-C4' energy: -169.161
flat angles P-C4'-P energy: -105.231
tors. eta vs tors. theta energy: -211.025
Dist. restrs. and SS energy: 5.825 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 500
Temperature: 1.100000
Total energy: -2456.007022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2456.007022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2465.622229 (E_RNA)
where:
Base-Base interactions energy: -1762.036
where: short stacking energy: -752.787
Base-Backbone interact. energy: 1.447
local terms energy: -705.034048
where:
bonds (distance) C4'-P energy: -117.562
bonds (distance) P-C4' energy: -124.976
flat angles C4'-P-C4' energy: -145.602
flat angles P-C4'-P energy: -106.905
tors. eta vs tors. theta energy: -209.990
Dist. restrs. and SS energy: 9.615 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 500
Temperature: 1.150000
Total energy: -2374.446509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2374.446509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2382.418645 (E_RNA)
where:
Base-Base interactions energy: -1672.747
where: short stacking energy: -687.147
Base-Backbone interact. energy: -0.464
local terms energy: -709.208048
where:
bonds (distance) C4'-P energy: -119.743
bonds (distance) P-C4' energy: -126.001
flat angles C4'-P-C4' energy: -153.616
flat angles P-C4'-P energy: -102.131
tors. eta vs tors. theta energy: -207.718
Dist. restrs. and SS energy: 7.972 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 500
Temperature: 1.200000
Total energy: -2361.794913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2361.794913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2378.350236 (E_RNA)
where:
Base-Base interactions energy: -1699.107
where: short stacking energy: -701.582
Base-Backbone interact. energy: 5.822
local terms energy: -685.065449
where:
bonds (distance) C4'-P energy: -114.717
bonds (distance) P-C4' energy: -110.307
flat angles C4'-P-C4' energy: -154.323
flat angles P-C4'-P energy: -90.931
tors. eta vs tors. theta energy: -214.788
Dist. restrs. and SS energy: 16.555 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 500
Temperature: 1.250000
Total energy: -2224.932028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2224.932028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2240.932840 (E_RNA)
where:
Base-Base interactions energy: -1578.336
where: short stacking energy: -641.618
Base-Backbone interact. energy: -4.976
local terms energy: -657.620948
where:
bonds (distance) C4'-P energy: -133.388
bonds (distance) P-C4' energy: -115.719
flat angles C4'-P-C4' energy: -146.404
flat angles P-C4'-P energy: -79.089
tors. eta vs tors. theta energy: -183.021
Dist. restrs. and SS energy: 16.001 (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: 6
=====================================
Write number: 500
Temperature: 1.300000
Total energy: -2058.896270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2058.896270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.925316 (E_RNA)
where:
Base-Base interactions energy: -1448.974
where: short stacking energy: -597.256
Base-Backbone interact. energy: -0.245
local terms energy: -622.706729
where:
bonds (distance) C4'-P energy: -118.323
bonds (distance) P-C4' energy: -113.564
flat angles C4'-P-C4' energy: -124.102
flat angles P-C4'-P energy: -90.846
tors. eta vs tors. theta energy: -175.872
Dist. restrs. and SS energy: 13.029 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 500
Temperature: 1.350000
Total energy: -1920.418556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1920.418556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.962354 (E_RNA)
where:
Base-Base interactions energy: -1342.513
where: short stacking energy: -559.507
Base-Backbone interact. energy: -2.746
local terms energy: -592.702544
where:
bonds (distance) C4'-P energy: -105.763
bonds (distance) P-C4' energy: -131.781
flat angles C4'-P-C4' energy: -118.326
flat angles P-C4'-P energy: -84.087
tors. eta vs tors. theta energy: -152.745
Dist. restrs. and SS energy: 17.544 (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: 2
=====================================
Write number: 501
Temperature: 0.900000
Total energy: -2830.775174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2830.775174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2835.543156 (E_RNA)
where:
Base-Base interactions energy: -1980.627
where: short stacking energy: -802.476
Base-Backbone interact. energy: -2.750
local terms energy: -852.166059
where:
bonds (distance) C4'-P energy: -145.164
bonds (distance) P-C4' energy: -156.041
flat angles C4'-P-C4' energy: -176.452
flat angles P-C4'-P energy: -126.156
tors. eta vs tors. theta energy: -248.353
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: 2, replica: 8
=====================================
Write number: 501
Temperature: 0.950000
Total energy: -2663.664085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2663.664085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2668.390182 (E_RNA)
where:
Base-Base interactions energy: -1890.557
where: short stacking energy: -814.213
Base-Backbone interact. energy: -0.937
local terms energy: -776.895661
where:
bonds (distance) C4'-P energy: -131.183
bonds (distance) P-C4' energy: -143.112
flat angles C4'-P-C4' energy: -157.970
flat angles P-C4'-P energy: -113.819
tors. eta vs tors. theta energy: -230.812
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: 3, replica: 5
=====================================
Write number: 501
Temperature: 1.000000
Total energy: -2640.609699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2640.609699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2647.005948 (E_RNA)
where:
Base-Base interactions energy: -1851.997
where: short stacking energy: -774.713
Base-Backbone interact. energy: -0.149
local terms energy: -794.859866
where:
bonds (distance) C4'-P energy: -140.581
bonds (distance) P-C4' energy: -145.156
flat angles C4'-P-C4' energy: -163.614
flat angles P-C4'-P energy: -117.340
tors. eta vs tors. theta energy: -228.169
Dist. restrs. and SS energy: 6.396 (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: 1
=====================================
Write number: 501
Temperature: 1.050000
Total energy: -2533.897701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2533.897701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2541.550508 (E_RNA)
where:
Base-Base interactions energy: -1772.305
where: short stacking energy: -752.524
Base-Backbone interact. energy: -1.678
local terms energy: -767.566813
where:
bonds (distance) C4'-P energy: -133.861
bonds (distance) P-C4' energy: -147.690
flat angles C4'-P-C4' energy: -159.157
flat angles P-C4'-P energy: -109.712
tors. eta vs tors. theta energy: -217.146
Dist. restrs. and SS energy: 7.653 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 501
Temperature: 1.100000
Total energy: -2435.193798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2435.193798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2442.846806 (E_RNA)
where:
Base-Base interactions energy: -1705.150
where: short stacking energy: -709.309
Base-Backbone interact. energy: -1.799
local terms energy: -735.898116
where:
bonds (distance) C4'-P energy: -141.902
bonds (distance) P-C4' energy: -124.092
flat angles C4'-P-C4' energy: -166.904
flat angles P-C4'-P energy: -92.674
tors. eta vs tors. theta energy: -210.326
Dist. restrs. and SS energy: 7.653 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 501
Temperature: 1.150000
Total energy: -2380.388385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2380.388385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2393.451869 (E_RNA)
where:
Base-Base interactions energy: -1695.893
where: short stacking energy: -695.798
Base-Backbone interact. energy: -3.022
local terms energy: -694.537570
where:
bonds (distance) C4'-P energy: -123.656
bonds (distance) P-C4' energy: -122.334
flat angles C4'-P-C4' energy: -154.832
flat angles P-C4'-P energy: -88.501
tors. eta vs tors. theta energy: -205.215
Dist. restrs. and SS energy: 13.063 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 501
Temperature: 1.200000
Total energy: -2298.164513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2298.164513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2309.270010 (E_RNA)
where:
Base-Base interactions energy: -1624.725
where: short stacking energy: -684.532
Base-Backbone interact. energy: -1.431
local terms energy: -683.113306
where:
bonds (distance) C4'-P energy: -123.626
bonds (distance) P-C4' energy: -101.361
flat angles C4'-P-C4' energy: -165.427
flat angles P-C4'-P energy: -92.892
tors. eta vs tors. theta energy: -199.807
Dist. restrs. and SS energy: 11.105 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 501
Temperature: 1.250000
Total energy: -2217.296632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2217.296632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2231.340338 (E_RNA)
where:
Base-Base interactions energy: -1553.334
where: short stacking energy: -648.813
Base-Backbone interact. energy: 1.112
local terms energy: -679.118506
where:
bonds (distance) C4'-P energy: -121.747
bonds (distance) P-C4' energy: -119.625
flat angles C4'-P-C4' energy: -138.749
flat angles P-C4'-P energy: -97.544
tors. eta vs tors. theta energy: -201.454
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: 6
=====================================
Write number: 501
Temperature: 1.300000
Total energy: -2057.217006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2057.217006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2072.682168 (E_RNA)
where:
Base-Base interactions energy: -1464.817
where: short stacking energy: -617.120
Base-Backbone interact. energy: 1.251
local terms energy: -609.116120
where:
bonds (distance) C4'-P energy: -122.024
bonds (distance) P-C4' energy: -93.592
flat angles C4'-P-C4' energy: -132.322
flat angles P-C4'-P energy: -94.694
tors. eta vs tors. theta energy: -166.484
Dist. restrs. and SS energy: 15.465 (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: 4
=====================================
Write number: 501
Temperature: 1.350000
Total energy: -1923.215223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1923.215223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1934.493938 (E_RNA)
where:
Base-Base interactions energy: -1383.055
where: short stacking energy: -577.888
Base-Backbone interact. energy: 2.825
local terms energy: -554.264217
where:
bonds (distance) C4'-P energy: -89.426
bonds (distance) P-C4' energy: -106.662
flat angles C4'-P-C4' energy: -129.703
flat angles P-C4'-P energy: -76.048
tors. eta vs tors. theta energy: -152.425
Dist. restrs. and SS energy: 11.279 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
replica 2 ended at temp. level: 1, temp: 0.900000
for this replica:
moves confirmed at first: 104001395
moves confirmed later: 111794007
all moves confirmed: 215795402
percent of confirmed moves: 26.974425
current total energy: -2721.499087
recalc. total energy: -2721.499087
replica 8 ended at temp. level: 2, temp: 0.950000
for this replica:
moves confirmed at first: 103959107
moves confirmed later: 111481634
all moves confirmed: 215440741
percent of confirmed moves: 26.930093
current total energy: -2551.505048
recalc. total energy: -2551.505048
replica 5 ended at temp. level: 3, temp: 1.000000
for this replica:
moves confirmed at first: 107137084
moves confirmed later: 115577181
all moves confirmed: 222714265
percent of confirmed moves: 27.839283
current total energy: -2570.465591
recalc. total energy: -2570.465591
replica 1 ended at temp. level: 4, temp: 1.050000
for this replica:
moves confirmed at first: 129757411
moves confirmed later: 144193777
all moves confirmed: 273951188
percent of confirmed moves: 34.243899
current total energy: -2378.090332
recalc. total energy: -2378.090332
replica 10 ended at temp. level: 5, temp: 1.100000
for this replica:
moves confirmed at first: 107173933
moves confirmed later: 115645582
all moves confirmed: 222819515
percent of confirmed moves: 27.852439
current total energy: -2321.399333
recalc. total energy: -2321.399333
replica 7 ended at temp. level: 6, temp: 1.150000
for this replica:
moves confirmed at first: 117435410
moves confirmed later: 128406044
all moves confirmed: 245841454
percent of confirmed moves: 30.730182
current total energy: -2203.300119
recalc. total energy: -2203.300119
replica 3 ended at temp. level: 7, temp: 1.200000
for this replica:
moves confirmed at first: 117965986
moves confirmed later: 129106586
all moves confirmed: 247072572
percent of confirmed moves: 30.884072
current total energy: -2182.216378
recalc. total energy: -2182.216378
replica 9 ended at temp. level: 8, temp: 1.250000
for this replica:
moves confirmed at first: 120752576
moves confirmed later: 133170821
all moves confirmed: 253923397
percent of confirmed moves: 31.740425
current total energy: -2078.769382
recalc. total energy: -2078.769382
replica 6 ended at temp. level: 9, temp: 1.300000
for this replica:
moves confirmed at first: 134885722
moves confirmed later: 150251744
all moves confirmed: 285137466
percent of confirmed moves: 35.642183
current total energy: -1923.219374
recalc. total energy: -1923.219374
replica 4 ended at temp. level: 10, temp: 1.350000
for this replica:
moves confirmed at first: 125898363
moves confirmed later: 138666401
all moves confirmed: 264564764
percent of confirmed moves: 33.070596
current total energy: -1803.079573
recalc. total energy: -1803.079573
out arg RESULTS//1/SNORD17-e773f488_01
Time of doing 8000000 iterations: 60986.564 seconds